Compounds

ALA5271548

Name:
1-(2-ethyl-8-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3Show More⌵

Mol. Formula:
C29H36ClN3O

M.W.:
478.08

Type:
---

AlogP:
5.22

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5271306

Name:
N-(6-chloro-7-((2S,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)Show More⌵

Mol. Formula:
C41H40ClN5O6

M.W.:
734.25

Type:
---

AlogP:
7.31

Polar Surface Area:
118.85

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5270239

Name:
1-(8-fluoro-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,Show More⌵

Mol. Formula:
C27H31ClFN3O

M.W.:
468.02

Type:
---

AlogP:
4.66

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5269905

Name:
N-(14-oxo-11,12-dihydro-3H-yohimban-17-yl)-2-(trifluoromethoxy)benzenesulfoShow More⌵

Mol. Formula:
C26H18F3N3O4S

M.W.:
525.51

Type:
---

AlogP:
5.41

Polar Surface Area:
93.19

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5268097

Name:
1-(2,8-dimethyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tShow More⌵

Mol. Formula:
C28H34ClN3O

M.W.:
464.05

Type:
---

AlogP:
4.83

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5267972

Name:
N-(4-(1-benzylpiperidin-4-yl)butyl)-N-(2-((2-(5-methoxy-1H-indol-3-yl)ethylShow More⌵

Mol. Formula:
C39H44N4O5

M.W.:
648.80

Type:
---

AlogP:
6.17

Polar Surface Area:
107.88

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5278371

Name:
1-(2-ethyl-8-fluoro-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3Show More⌵

Mol. Formula:
C28H33ClFN3O

M.W.:
482.04

Type:
---

AlogP:
5.05

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5277140

Name:
1-(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetraShow More⌵

Mol. Formula:
C27H32ClN3O

M.W.:
450.03

Type:
---

AlogP:
4.52

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5283768

Name:
1-(8-methoxy-2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(10HShow More⌵

Mol. Formula:
C28H29N3O2S

M.W.:
471.63

Type:
---

AlogP:
5.30

Polar Surface Area:
40.87

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5289632

Name:
1-(2-ethyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahShow More⌵

Mol. Formula:
C28H34ClN3O

M.W.:
464.05

Type:
---

AlogP:
4.91

Polar Surface Area:
33.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5288465

Name:
2-(4-(4-benzylpiperazin-1-yl)butyl)-4,4a,5,6-tetrahydrothieno[2,3-h]cinnoliShow More⌵

Mol. Formula:
C25H32N4OS

M.W.:
436.63

Type:
---

AlogP:
3.84

Polar Surface Area:
39.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5219685

Name:
[(3R,3aR,6S,6aR)-6-(benzylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]fShow More⌵

Mol. Formula:
C22H29NO6S2

M.W.:
467.61

2 activity values

2 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
83.09

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5266941

Name:
1-(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-methoxytetrahydro-2H-pyran-2-yl)mShow More⌵

Mol. Formula:
C32H34N2O7

M.W.:
558.63

Type:
---

AlogP:
3.66

Polar Surface Area:
101.01

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5265926

Name:
5-(1,2-dithiolan-3-yl)-N-((1-(4-((4-oxo-4H-chromen-7-yl)oxy)butyl)-1H-1,2,3Show More⌵

Mol. Formula:
C24H30N4O4S2

M.W.:
502.66

Type:
---

AlogP:
4.57

Polar Surface Area:
99.25

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5221202

Name:

Mol. Formula:
C19H13N2O+

M.W.:
285.33

1 activity values

1 unique targets

Type:
---

AlogP:
3.45

Polar Surface Area:
36.74

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5220673

Name:
[13-methyl-2-[(Z)-phenylazo]-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazoShow More⌵

Mol. Formula:
C31H37N5O2

M.W.:
511.67

1 activity values

1 unique targets

Type:
---

AlogP:
7.67

Polar Surface Area:
69.53

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5220668

Name:
[(3aR,8bS)-3-[(4-fluorophenyl)methyl]-4,8b-dimethyl-2,3a-dihydro-1H-pyrroloShow More⌵

Mol. Formula:
C29H32FN3O2

M.W.:
473.59

1 activity values

1 unique targets

Type:
---

AlogP:
6.50

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5220283

Name:
[3-[[methyl-[6-[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-Show More⌵

Mol. Formula:
C34H40N2O8

M.W.:
604.70

3 activity values

3 unique targets

Type:
---

AlogP:
6.12

Polar Surface Area:
104.79

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5220069

Name:
(13-methyl-5,6,8,13a-tetrahydroisoquinolino[1,2-b]quinazolin-10-yl)N-[9-(5-Show More⌵

Mol. Formula:
C36H42N4O4

M.W.:
594.76

1 activity values

1 unique targets

Type:
---

AlogP:
6.92

Polar Surface Area:
86.90

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5219232

Name:
Ladostigil

Mol. Formula:
C32H40N4O4

M.W.:
544.70

4 activity values

4 unique targets

Type:
---

AlogP:
2.35

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS