Compounds

Type:
---

AlogP:
4.05

Polar Surface Area:
42.09

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5190973

Name:

Mol. Formula:
C34H38N6O2

M.W.:
562.72

1 activity values

Type:
---

AlogP:
5.00

Polar Surface Area:
96.86

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5190475

Name:
(S)-N-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'Show More⌵

Mol. Formula:
C29H40N4O6S2

M.W.:
604.79

1 activity values

Type:
---

AlogP:
1.93

Polar Surface Area:
116.33

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5180310

Name:
6-(tert-butyl)-2-heptylquinolin-4(1H)-one

Mol. Formula:
C20H29NO

M.W.:
299.46

2 activity values

Type:
---

AlogP:
5.34

Polar Surface Area:
32.86

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5177954

Name:
6-fluoro-2-heptylquinolin-4(1H)-one

Mol. Formula:
C16H20FNO

M.W.:
261.34

2 activity values

Type:
---

AlogP:
4.18

Polar Surface Area:
32.86

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4800459

Name:
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-tShow More⌵

Mol. Formula:
C40H37N7O3

M.W.:
663.78

7 activity values

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
137.72

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4799766

Name:
(S)-N-[2-((R)-2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4Show More⌵

Mol. Formula:
C40H43N7O4

M.W.:
685.83

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
149.18

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4798018

Name:
(R)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazoShow More⌵

Mol. Formula:
C31H34N6O2

M.W.:
522.65

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
96.86

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4797988

Name:
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C39H38N6O3

M.W.:
638.77

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
113.93

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4797685

Name:
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C37H39N7O4

M.W.:
645.76

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
146.95

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4797064

Name:
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-(2-morpholinoethyl)-Show More⌵

Mol. Formula:
C40H45N9O4

M.W.:
715.86

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
153.43

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4794448

Name:
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-tShow More⌵

Mol. Formula:
C39H37FN6O3

M.W.:
656.76

Type:
Unknown

AlogP:
5.97

Polar Surface Area:
113.93

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4793824

Name:
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-tShow More⌵

Mol. Formula:
C40H36FN7O3

M.W.:
681.77

Type:
Unknown

AlogP:
5.86

Polar Surface Area:
137.72

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4791255

Name:
(R)-N-[3-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C42H41N7O4

M.W.:
707.84

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
146.95

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4787023

Name:
(R)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazoShow More⌵

Mol. Formula:
C32H36N6O2

M.W.:
536.68

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
96.86

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4785149

Name:
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-(2-morpholinoethyl)-4HShow More⌵

Mol. Formula:
C38H40N8O5

M.W.:
688.79

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
170.42

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4784240

Name:
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C37H34N8O3

M.W.:
638.73

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
150.61

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4783347

Name:
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triShow More⌵

Mol. Formula:
C37H36N6O3

M.W.:
612.73

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
113.93

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4782383

Name:
(R,E)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triaShow More⌵

Mol. Formula:
C39H36N6O3

M.W.:
636.76

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
117.85

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4782214

Name:
(R)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazoShow More⌵

Mol. Formula:
C32H34N6O3

M.W.:
550.66