Compounds

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

ALA5209201

Name:
(E)-3-(5-bromo-1H-indol-3-yl)-N-(((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8Show More⌵

Mol. Formula:
C28H31BrN4O

M.W.:
519.49

Type:
---

AlogP:
4.92

Polar Surface Area:
51.37

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5208628

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

Mol. Formula:
C20H26Cl2N2S

M.W.:
397.42

5 activity values

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

ALA5208224

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

Mol. Formula:
C20H26F2N2S

M.W.:
364.51

Type:
---

AlogP:
4.41

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5207979

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

Mol. Formula:
C26H32FN3O

M.W.:
421.56

Type:
---

AlogP:
3.73

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5207920

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

Mol. Formula:
C24H29N3O

M.W.:
375.52

10 activity values

Type:
---

AlogP:
3.27

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5207853

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

Mol. Formula:
C25H29N5O

M.W.:
415.54

Type:
---

AlogP:
3.15

Polar Surface Area:
64.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5207829

Name:
((6aR,9S,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decahydroindolo[4,3Show More⌵

Mol. Formula:
C17H25N3

M.W.:
271.41

10 activity values

Type:
---

AlogP:
1.80

Polar Surface Area:
32.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5206995

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

Mol. Formula:
C20H28N2S

M.W.:
328.52

Type:
---

AlogP:
4.40

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5206629

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

Mol. Formula:
C21H16ClFN2O

M.W.:
366.82

3 unique targets

Type:
---

AlogP:
5.50

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5206602

Name:
N-(((6aR,9R,10aR)-4,7-dimethyl-3a1,4,6,6a,7,8,9,10,10a,10b-decahydroindolo[Show More⌵

Mol. Formula:
C25H33N3O2S

M.W.:
439.63

10 activity values

Type:
---

AlogP:
3.00

Polar Surface Area:
52.65

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5206385

Name:
1-(1-(3,4-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

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

3 unique targets

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

3 unique targets

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