Compounds

ALA4279998

Name:
(3Z)-1H-Indole-2,3-dione-3-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolinShow More⌵

Mol. Formula:
C22H14ClN5O2

M.W.:
415.84

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
88.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3351025

Name:
N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-prShow More⌵

Mol. Formula:
C33H42N4O6

M.W.:
590.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3351024

Name:
[2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid adamaShow More⌵

Mol. Formula:
C36H42N4O6

M.W.:
626.75

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3351023

Name:
3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-ylShow More⌵

Mol. Formula:
C35H42N4O6

M.W.:
614.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3351022

Name:
3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionShow More⌵

Mol. Formula:
C35H40N4O6

M.W.:
612.73

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3351021

Name:
3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-prShow More⌵

Mol. Formula:
C32H38N4O6

M.W.:
574.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3351020

Name:
N-{2-[3-(1H-Indol-3-yl)-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxycarbonShow More⌵

Mol. Formula:
C34H42N4O6

M.W.:
602.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3351019

Name:
[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethShow More⌵

Mol. Formula:
C32H41N3O4

M.W.:
531.70

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
103.45

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3351018

Name:
N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-prShow More⌵

Mol. Formula:
C32H40N4O6

M.W.:
576.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3351017

Name:
[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethShow More⌵

Mol. Formula:
C32H39N3O4

M.W.:
529.68

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
103.45

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3351016

Name:
[2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid 1,7,7Show More⌵

Mol. Formula:
C31H39N3O3

M.W.:
501.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.77

Polar Surface Area:
83.22

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3351015

Name:
3-{2-[3-(1H-Indol-3-yl)-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxycarbonShow More⌵

Mol. Formula:
C34H40N4O6

M.W.:
600.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3351014

Name:
3-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-propionylamino]-4-pShow More⌵

Mol. Formula:
C32H37N3O5

M.W.:
543.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3351013

Name:
3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-prShow More⌵

Mol. Formula:
C33H40N4O6

M.W.:
588.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3351012

Name:
[2-(1H-Indol-3-yl)-1-methyl-1-phenethylcarbamoyl-ethyl]-carbamic acid 2-metShow More⌵

Mol. Formula:
C28H35N3O3

M.W.:
461.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
83.22

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3350691

Name:
N-{2-[3-(1H-Indol-3-yl)-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxycarbonShow More⌵

Mol. Formula:
C34H44N4O7

M.W.:
620.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3350395

Name:
[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethShow More⌵

Mol. Formula:
C29H37N3O4

M.W.:
491.63

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
103.45

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3350394

Name:
3-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-propionylamino]-4-pShow More⌵

Mol. Formula:
C32H37N3O5

M.W.:
543.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3350393

Name:
[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbaShow More⌵

Mol. Formula:
C31H37N3O4

M.W.:
515.65

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
103.45

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3350364

Name:
N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-ylShow More⌵

Mol. Formula:
C35H44N4O6

M.W.:
616.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
149.62

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS