Compounds

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
35.51

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4521706

Name:
3-((1-(2-Chlorophenyl)-2-oxocyclohexyl)amino)-N-et
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Mol. Formula:
C17H23ClN2O2

M.W.:
322.84

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4520065

Name:
5-((1-(2-Chlorophenyl)-2-oxocyclohexyl)amino)-N-me
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Mol. Formula:
C18H25ClN2O2

M.W.:
336.86

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4558495

Name:
N-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)-N'-(9-
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Mol. Formula:
C33H39ClFN3

M.W.:
532.15

11 activity values

7 unique targets

Type:
Unknown

AlogP:
8.24

Polar Surface Area:
36.95

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4554571

Name:
2-(2-Chlorophenyl)-2-((3-(piperidin-1-yl)propyl)am
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Mol. Formula:
C22H31ClN2O2

M.W.:
390.96

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4740394

Name:
(3R,3aR,4aS,9bR)-3a-(4-chlorophenyl)-3-methyl-3,3a
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Mol. Formula:
C20H18ClNO2

M.W.:
339.82

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4764174

Name:
(3aR,4aS,9bS)-3a-(4-chlorophenyl)-3,3a,4a,9b-tetra
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Mol. Formula:
C19H16ClNO2

M.W.:
325.80

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4757565

Name:
(3aS,4aR,9bS)-3a-(4-chlorophenyl)-3,3a,4a,9b-tetra
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Mol. Formula:
C19H16ClNO2

M.W.:
325.80

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4757075

Name:
(3aS,4aR,9bS)-3a-(4-(methylsulfonyl)phenyl)-3,3a,4
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Mol. Formula:
C20H19NO4S

M.W.:
369.44

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4756610

Name:
(3aS,4aR,9bS)-3a-(4-methoxyphenyl)-3,3a,4a,9b-tetr
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Mol. Formula:
C20H19NO3

M.W.:
321.38

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4579918

Name:
Phenyl 3-((1-(2-chlorophenyl)-2-oxocyclohexyl)amin
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Mol. Formula:
C21H22ClNO3

M.W.:
371.86

3 activity values

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4591167

Name:
N-(7-Amino-9-fluoro-7H-5,6,8,9,10,11-hexahydro-5,9
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Mol. Formula:
C33H38ClFN4O

M.W.:
561.15

9 activity values

7 unique targets

Type:
Unknown

AlogP:
7.55

Polar Surface Area:
80.04

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4783163

Name:
(3aS,4aR,9bS)-3a-(4-bromophenyl)-3,3a,4a,9b-tetrah
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Mol. Formula:
C19H16BrNO2

M.W.:
370.25

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4795551

Name:
(3aS,4aS,9bS)-3a-phenyl-3,3a,4a,9b-tetrahydro-5H-i
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Mol. Formula:
C19H17NO2

M.W.:
291.35

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4790470

Name:
(3aR,4aS,9bS)-3a-(4-bromophenyl)-3,3a,4a,9b-tetrah
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Mol. Formula:
C19H16BrNO2

M.W.:
370.25

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4799693

Name:
(4bS,9aS,10aR)-9a-phenyl-4b,7,8,9,9a,10a-hexahydro
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Mol. Formula:
C20H19NO2

M.W.:
305.38

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4799186

Name:
(3aS,4aR,9bS)-3a-(3-chloro-4-methylphenyl)-3,3a,4a
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Mol. Formula:
C20H18ClNO2

M.W.:
339.82

3 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4462369

Name:
5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]
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Mol. Formula:
C33H37ClFN3O

M.W.:
546.13

8 activity values

7 unique targets

Type:
Unknown

AlogP:
7.77

Polar Surface Area:
54.02

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4462090

Name:
Methyl 2-(2-((1-(2-chlorophenyl)-2-oxocyclohexyl)a
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Mol. Formula:
C17H22ClNO4

M.W.:
339.82

3 activity values

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
64.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4461430

Name:
3-((1-(2-Chlorophenyl)-2-oxocyclohexyl)amino)-N-is
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Mol. Formula:
C18H25ClN2O2

M.W.:
336.86