Compounds

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4574825

Name:
(R)-N-((1-(3-fluoro-4-(trifluoromethoxy)phenethyl)
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Mol. Formula:
C21H25F4N3O3

M.W.:
443.44

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4461512

Name:
(R)-3-Isopropyl-N-((1-(4-methyl-3-(trifluoromethyl
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Mol. Formula:
C22H28F3N3O2

M.W.:
423.48

14 activity values

10 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4459597

Name:
(R)-N-((1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl)me
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Mol. Formula:
C18H29N3O3

M.W.:
335.45

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
75.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4459378

Name:
Methyl 5-((((R)-1-(3,4-dichlorophenethyl)pyrrolidi
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Mol. Formula:
C29H32Cl2N4O5

M.W.:
587.50

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4467412

Name:
(R)-3-Isopropyl-N-((1-(4-(trifluoromethyl)phenethy
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Mol. Formula:
C21H26F3N3O2

M.W.:
409.45

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4466934

Name:
Methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-((((R)-1-(
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Mol. Formula:
C30H33F3N4O5

M.W.:
586.61

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
113.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4465699

Name:
(S)-3-isopropyl-N-(pyrrolidin-3-ylmethyl)isoxazole
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Mol. Formula:
C12H19N3O2

M.W.:
237.30

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
67.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4097276

Name:
2-(2-((4-(3,3-dimethylureido)butyl)(methyl)amino)-
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Mol. Formula:
C34H43FN6O2

M.W.:
586.76

2 activity values

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
80.28

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4096567

Name:
2-[{1-(tert-Butyl)-5-(4-cyclohexylphenyl)-1H-pyraz
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Mol. Formula:
C27H33N3O2S

M.W.:
463.65

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4104298

Name:
2-{(1-Isobutyl-5-phenyl-1H-pyrazol-3-yl)methyl}-2,
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Mol. Formula:
C20H21N3O2S

M.W.:
367.47

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4102649

Name:
2-[(1-4-fluorophenyl)-5-isobutyl-1H-pyrazol-3-yl)m
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Mol. Formula:
C20H20FN3O2S

M.W.:
385.46

29 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4101068

Name:
2-[1-(2,6-dichlorophenyl)-5-isobutyl-1H-pyrazol-3-
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Mol. Formula:
C20H19Cl2N3O2S

M.W.:
436.36

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4090947

Name:
2-[{1-(tert-Butyl)-5-phenyl-1H-pyrazol-3-yl}methyl
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Mol. Formula:
C21H23N3O2S

M.W.:
381.50

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4088881

Name:
2-[{1-(tert-Butyl)-5-(4-trifluoromethylphenyl)-1H-
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Mol. Formula:
C22H22F3N3O2S

M.W.:
449.50

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4087937

Name:
2-[{5-(4-Fluorophenyl)-1-isobutyl-1H-pyrazol-3-yl}
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Mol. Formula:
C20H20FN3O2S

M.W.:
385.46

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4072057

Name:
N-Methyl[(5-isobutyl-1-phenyl-1H-pyrazol-3-yl)meth
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Mol. Formula:
C21H25N3O2S

M.W.:
383.52

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4070816

Name:
2-(3-(4-cyclohexylphenyl)-2-(4-(2-(dimethylamino)e
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Mol. Formula:
C37H47FN6O

M.W.:
610.82

2 activity values

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
54.42

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4069336

Name:
2-[{1-(tert-Butyl)-5-(4-piperidin-1-yl-phenyl)-1H-
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Mol. Formula:
C26H32N4O2S

M.W.:
464.64