Compounds

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4741728

Name:
2-(2-(4'-Chloro-2-fluoro-[1,1'-biphenyl]-3-carboxa
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Mol. Formula:
C21H15ClFNO3

M.W.:
383.81

6 activity values

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4763307

Name:
2-[2-[[3-[4-chloro-2-fluoro-3-[[(3R)-3-piperidyl]o
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Mol. Formula:
C26H24ClFN2O4

M.W.:
482.94

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4762252

Name:
(3R)-3-[[3-(4-chlorophenyl)benzoyl]amino]-3-(3-pyr
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Mol. Formula:
C21H17ClN2O3

M.W.:
380.83

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
79.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4759141

Name:
2-(2-(4'-Chloro-3'-(piperidin-3-yloxy)-[1,1'-biphe
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Mol. Formula:
C26H25ClN2O4

M.W.:
464.95

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4757124

Name:
(R)-2-(2-(4'-Chloro-2'-fluoro-5'-(piperidin-3-ylox
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Mol. Formula:
C26H23ClF2N2O4

M.W.:
500.93

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4783334

Name:
2-(2-(4'-Chloro-3'-(pyrrolidin-3-yloxy)-[1,1'-biph
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Mol. Formula:
C25H23ClN2O4

M.W.:
450.92

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4782840

Name:
3-[[3-(4-chlorophenyl)benzoyl]amino]-3-(3-pyridyl)
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Mol. Formula:
C21H17ClN2O3

M.W.:
380.83

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
79.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4781889

Name:
2-(2-(3'-(2-Aminoethoxy)-4'-chloro-[1,1'-biphenyl]
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Mol. Formula:
C23H21ClN2O4

M.W.:
424.88

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
101.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4752851

Name:
(R)-2-(2-(4'-Chloro-2'-fluoro-3'-(piperidin-3-ylox
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Mol. Formula:
C26H23ClF2N2O4

M.W.:
500.93

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4751488

Name:
2-[2-[[3-[4-chloro-2-fluoro-5-[[(3R)-3-piperidyl]o
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Mol. Formula:
C26H22ClF3N2O4

M.W.:
518.92

7 activity values

4 unique targets

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4793036

Name:
(3S)-3-[[3-(4-chlorophenyl)benzoyl]amino]-3-(3-pyr
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Mol. Formula:
C21H17ClN2O3

M.W.:
380.83

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
79.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4791540

Name:
2-(2-(3'-(Azetidin-3-yloxy)-4'-chloro-[1,1'-biphen
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Mol. Formula:
C24H21ClN2O4

M.W.:
436.90

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4790324

Name:
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl
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Cas Number:
2380230-73-7

Mol. Formula:
C27H29N3O3

M.W.:
443.55

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
72.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4740249

Name:
2-(4'-Chloro-[1,1'-biphenyl]-3-carboxamido)benzoic
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Mol. Formula:
C20H14ClNO3

M.W.:
351.79

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2153598

Name:
2-(4-(1,8-naphthyridin-2-yl)butyl)-5-(4-fluoro-3-(
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Mol. Formula:
C21H16F4N4O2

M.W.:
432.38

2 activity values

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
73.93

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2153597

Name:
2-(4-(1,8-naphthyridin-2-yl)butyl)-5-(4-fluoro-3-(
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Mol. Formula:
C21H16F4N4O

M.W.:
416.38

2 activity values

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
64.70

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2153596

Name:
2-{4-[5-(4-Chloro-3-trifluoromethylphenyl)-[1,3,4]
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Mol. Formula:
C21H16ClF3N4O

M.W.:
432.83

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
64.70

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2153595

Name:
2-{4-[5-(3-Chloro-4-trifluoromethoxyphenyl)-[1,3,4
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Mol. Formula:
C21H16ClF3N4O2

M.W.:
448.83

17 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
73.93

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2153594

Name:
2-(4-(1,8-naphthyridin-2-yl)butyl)-5-(3,4-bis(trif
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Mol. Formula:
C22H16F6N4O

M.W.:
466.38

2 activity values