Compounds

Type:
---

AlogP:
4.27

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5198752

Name:
2-chloro-N-propyldibenzo[b,f][1,4]oxazepin-11-amine

Mol. Formula:
C16H15ClN2O

M.W.:
286.76

Type:
---

AlogP:
4.52

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5198533

Name:
1-(1-(2-chlorobenzyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)methanShow More⌵

Mol. Formula:
C19H25ClN2S

M.W.:
348.94

Type:
---

AlogP:
4.75

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5198212

Name:
1-(1-(2-methoxyphenethyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)meShow More⌵

Mol. Formula:
C21H30N2OS

M.W.:
358.55

Type:
---

AlogP:
4.14

Polar Surface Area:
15.71

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5197853

Name:
2-chloro-N-(2-(1-methylpyrrolidin-2-yl)ethyl)dibenzo[b,f][1,4]oxazepin-11-aShow More⌵

Mol. Formula:
C20H22ClN3O

M.W.:
355.87

Type:
---

AlogP:
4.60

Polar Surface Area:
36.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197577

Name:
2-((2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)amino)-1-(pyrrolidin-1-yl)ethanShow More⌵

Mol. Formula:
C19H18ClN3O2

M.W.:
355.83

2 unique targets

Type:
---

AlogP:
3.74

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5197236

Name:
1-(1-(2,5-dichlorobenzyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)meShow More⌵

Mol. Formula:
C19H24Cl2N2S

M.W.:
383.39

Type:
---

AlogP:
5.40

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5196954

Name:
(2S)-2-amino-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decShow More⌵

Mol. Formula:
C26H34N4O

M.W.:
418.59

10 activity values

Type:
---

AlogP:
2.53

Polar Surface Area:
61.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5196582

Name:
tert-butyl ((2S)-1-((((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10Show More⌵

Mol. Formula:
C31H42N4O3

M.W.:
518.70

Type:
---

AlogP:
4.09

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5196198

Name:
3-(4-chlorophenyl)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,1Show More⌵

Mol. Formula:
C26H32ClN3O

M.W.:
438.02

Type:
---

AlogP:
4.24

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5206056

Name:
1-(1-(2,4-dichlorophenethyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethylShow More⌵

Mol. Formula:
C20H26Cl2N2S

M.W.:
397.42

Type:
---

AlogP:
5.44

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5206042

Name:
(E)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decahydroindShow More⌵

Mol. Formula:
C27H33N3O

M.W.:
415.58

Type:
---

AlogP:
4.06

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5205507

Name:
2-chloro-N-(pentan-3-yl)dibenzo[b,f][1,4]oxazepin-11-amine

Mol. Formula:
C18H19ClN2O

M.W.:
314.82

Type:
---

AlogP:
5.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5205143

Name:
2-chloro-N-(3-(pyrrolidin-1-yl)propyl)dibenzo[b,f][1,4]oxazepin-11-amine

Mol. Formula:
C20H22ClN3O

M.W.:
355.87

Type:
---

AlogP:
4.60

Polar Surface Area:
36.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5204928

Name:
1-(1-(3-bromophenethyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)methShow More⌵

Mol. Formula:
C20H27BrN2S

M.W.:
407.42

Type:
---

AlogP:
4.90

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5204598

Name:
(E)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decahydroindShow More⌵

Mol. Formula:
C28H35N3O3S

M.W.:
493.67

Type:
---

AlogP:
3.47

Polar Surface Area:
69.72

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5204411

Name:
(E)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decahydroindShow More⌵

Mol. Formula:
C27H29F4N3O

M.W.:
487.54

Type:
---

AlogP:
4.83

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5204374

Name:
(E)-3-(2,4-bis(trifluoromethyl)phenyl)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4Show More⌵

Mol. Formula:
C28H29F6N3O

M.W.:
537.55

Type:
---

AlogP:
5.71

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5204272

Name:
2-chloro-N-(cyclopropylmethyl)dibenzo[b,f][1,4]oxazepin-11-amine

Mol. Formula:
C17H15ClN2O

M.W.:
298.77

Type:
---

AlogP:
4.52

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5204101

Name:
1-(1-(2,6-difluorophenethyl)piperidin-4-yl)-N-methyl-N-(thiophen-3-ylmethylShow More⌵

Mol. Formula:
C20H26F2N2S

M.W.:
364.50