Compounds

ALA1946851

Name:
4-Hydroxy-N-[(2,3,5,6-tetrafluoro-3'-(trifluoromet
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Mol. Formula:
C16H6F7N3O4

M.W.:
437.23

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
97.48

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1946850

Name:
4-Hydroxy-N-[(2,3,5,6-tetrafluoro-3'-(trifluoromet
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Mol. Formula:
C16H6F7N3O3

M.W.:
421.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1946849

Name:
4-Hydroxy-N-[(2,3,5,6-tetrafluoro-4'-(trifluoromet
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Mol. Formula:
C16H6F7N3O3

M.W.:
421.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1946848

Name:
4-Hydroxy-N-[(3,5-difluoro-4'-(trifluoromethyl))bi
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Mol. Formula:
C16H8F5N3O3

M.W.:
385.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1946660

Name:
4-Hydroxy-N-[(3,5-difluoro-3'-(trifluoromethyl))bi
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Mol. Formula:
C16H8F5N3O3

M.W.:
385.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1946659

Name:
4-Hydroxy-N-[(2,3,5,6-(tetrafluoro)biphenyl-4-yl)]
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Cas Number:
1364791-93-4

Mol. Formula:
C15H7F4N3O3

M.W.:
353.23

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1946658

Name:
4-Hydroxy-N-[(3,5-difluoro)biphenyl-4-yl]-1,2,5-ox
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Mol. Formula:
C15H9F2N3O3

M.W.:
317.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1946657

Name:
4-Hydroxy-N-[3'-(trifluoromethyl)biphenyl-4-yl]-1,
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Mol. Formula:
C16H10F3N3O3

M.W.:
349.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1946656

Name:
4-Hydroxy-N-[4'-(trifluoromethyl)biphenyl-4-yl]-1,
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Mol. Formula:
C16H10F3N3O3

M.W.:
349.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1946655

Name:
4-Hydroxy-N-(biphenyl-2-yl)-1,2,5-oxadiazole-3-car
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Mol. Formula:
C15H11N3O3

M.W.:
281.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1946654

Name:
4-Hydroxy-N-(biphenyl-4-yl)-1,2,5-oxadiazole-3-car
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Cas Number:
1364791-88-7

Mol. Formula:
C15H11N3O3

M.W.:
281.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1946653

Name:
4-Hydroxy-N-[(1-trifluoromethyl)phenyl-4-yl]-1,2,5
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Cas Number:
1364791-86-5

Mol. Formula:
C10H6F3N3O3

M.W.:
273.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA1651809

Name:
2-Nitro-3-oxo-3-(biphenyl-4-yl)aminopropionitrile
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Mol. Formula:
C15H10KN3O3

M.W.:
319.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1651808

Name:
3-(4-Methylphenyl)amino-2-nitro-3-oxo-propionitril
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Mol. Formula:
C10H8KN3O3

M.W.:
257.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1651807

Name:
2-Nitro-3-(4-nitrophenyl)amino-3-oxopropionitrile
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Mol. Formula:
C9H5KN4O5

M.W.:
288.26

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.51

Polar Surface Area:
145.16

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1651806

Name:
3-(3,5-Difluorophenyl)amino-2-nitro-3-oxopropionit
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Mol. Formula:
C9H4F2KN3O3

M.W.:
279.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.88

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1651805

Name:
3-(2-Fluorophenyl)amino-2-nitro-3-oxopropionitrile
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Mol. Formula:
C9H5FKN3O3

M.W.:
261.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1651804

Name:
3-(3-Fluorophenyl)amino-2-nitro-3-oxopropionitrile
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Mol. Formula:
C9H5FKN3O3

M.W.:
261.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1651803

Name:
3-(4-Fluorophenyl)amino-2-nitro-3-oxopropionitrile
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Mol. Formula:
C9H5FKN3O3

M.W.:
261.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.74

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1649607

Name:
3-[3,5-Bis(trifluoromethyl)phenyl]amino-2-nitro-3-
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Mol. Formula:
C11H4F6KN3O3

M.W.:
379.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
102.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS