Compounds

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4476383

Name:
(+/-)-5,8,13, 13a-tetrahydro-6H-[1,3]dioxolo[4,5-g
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Mol. Formula:
C18H17NO3

M.W.:
295.34

4 activity values

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4475914

Name:
1,5-Dimethyl-6-(2-methyl-4-((5,6,7,8-tetrahydroben
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Mol. Formula:
C23H22N4O3S

M.W.:
434.52

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
89.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4475848

Name:
N-(3-Methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)
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Mol. Formula:
C21H17N5O

M.W.:
355.40

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
68.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4475699

Name:
N-((2-(5-Chloro-2-methoxyphenyl)cyclopropyl)methyl
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Mol. Formula:
C27H34Cl2N4OS

M.W.:
533.57

6 unique targets

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
43.18

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4475406

Name:
N-(4-((((1R,2R)-2-(5-Fluoro-2-methoxyphenyl)cyclop
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Mol. Formula:
C30H37ClFN3O2

M.W.:
526.10

39 activity values

10 unique targets

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4475239

Name:
6-(1-(Furo[3,2-c]pyridin-4-yl)-4-methylindolin-5-y
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Mol. Formula:
C22H20N4O3

M.W.:
388.43

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
84.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4474567

Name:
4-(2,6-Difluoro-4-(imidazo[1,2-a]pyridin-5-yl)phen
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Mol. Formula:
C20H11F2N3O2

M.W.:
363.32

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
52.56

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4474245

Name:
4-(4-(4-Ethoxy-6-methylpyrimidin-5-yl)-3-methylphe
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Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
70.27

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4538358

Name:
6-(6-(Furo[3,2-c]pyridin-4-ylamino)pyridin-3-yl)-1
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Mol. Formula:
C18H15N5O3

M.W.:
349.35

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
105.81

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4537900

Name:
(R)-9-Isopropyl-6-methyl-5,6,6a,7-tetrahydro-4H-di
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Mol. Formula:
C24H27NO4

M.W.:
393.48

12 activity values

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4536851

Name:
2-(2,6-dichlorophenyl)-1-[(1S,3R)-5-[1-(2-hydroxye
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Mol. Formula:
C24H25Cl2N3O3

M.W.:
474.39

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
78.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4525624

Name:
N-(4-(((2-(3-Chlorophenyl)cyclopropyl)methyl)(prop
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Mol. Formula:
C28H34Cl2N2O

M.W.:
485.50

6 unique targets

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4523054

Name:
(R)-6,9-Dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de
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Mol. Formula:
C22H23NO4

M.W.:
365.43

14 activity values

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4522770

Name:
5-(4-((3-bromopyridin-2-yl)oxy)-2-methylphenyl)-6-
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Mol. Formula:
C19H15BrN4O

M.W.:
395.26

5 activity values

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
52.31

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4522558

Name:
N-(4-((((1S,2S)-2-(2,3-Dichlorophenyl)cyclopropyl)
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Mol. Formula:
C29H34Cl3N3O

M.W.:
546.97

14 activity values

8 unique targets

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4521450

Name:
(+/-)-2,3,10-Trimethoxy-5,8,13,13a-tetrahydro-6H-i
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Mol. Formula:
C20H23NO4

M.W.:
341.41

4 activity values

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4519818

Name:
(S)-2-(2,6-dichlorophenyl)-1-(1-methyl-3,4-dihydro
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Mol. Formula:
C18H17Cl2NO

M.W.:
334.25

1 activity values

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4532637

Name:
4-fluoro-3-(2-oxo-2-(2-(4-(trifluoromethyl)phenyl)
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Mol. Formula:
C23H18F4N4O3

M.W.:
474.41

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
73.27

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4531363

Name:
N-(4-(((2-(5-Fluoro-2-methoxyphenyl)cyclopropyl)me
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Mol. Formula:
C27H35ClFN3O2

M.W.:
488.05