Compounds

Type:
Small molecule

AlogP:
7.62

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2046486

Name:
N-(3-(3-chlorobenzyl)-4-oxo-2-propyl-3,4-dihydroquinazolin-6-yl)-2-methylbeShow More⌵

Mol. Formula:
C26H24ClN3O2

M.W.:
445.95

18 activity values

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2046484

Name:
2-chloro-N-(3-(3-chlorobenzyl)-4-oxo-2-propyl-3,4-dihydroquinazolin-6-yl)-6Show More⌵

Mol. Formula:
C25H20Cl2FN3O2

M.W.:
484.36

17 activity values

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2046483

Name:
2-chloro-N-(3-(2-chlorobenzyl)-4-oxo-2-propyl-3,4-dihydroquinazolin-6-yl)beShow More⌵

Mol. Formula:
C25H21Cl2N3O2

M.W.:
466.37

20 activity values

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2046481

Name:
2-chloro-N-(3-(3-chlorobenzyl)-4-oxo-2-propyl-3,4-dihydroquinazolin-6-yl)beShow More⌵

Mol. Formula:
C25H21Cl2N3O2

M.W.:
466.37

18 activity values

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2046480

Name:
N-(3-(biphenyl-4-ylmethyl)-4-oxo-2-propyl-3,4-dihydroquinazolin-6-yl)-2-chlShow More⌵

Mol. Formula:
C31H26ClN3O2

M.W.:
508.02

19 activity values

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2046478

Name:
2-chloro-N-(3-((3'-methoxybiphenyl-4-yl)methyl)-4-oxo-2-propyl-3,4-dihydroqShow More⌵

Mol. Formula:
C32H28ClN3O3

M.W.:
538.05

19 activity values

Type:
Small molecule

AlogP:
6.98

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA36331

Name:
[3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thiazol-4-ylmethoxy)-1H-indShow More⌵

Mol. Formula:
C30H34ClN3O4S2

M.W.:
600.21

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
85.94

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA38545

Name:
3-[5-(Benzothiazol-2-ylmethoxy)-3-tert-butylsulfanyl-1-(4-chloro-benzyl)-1HShow More⌵

Mol. Formula:
C32H33ClN2O3S2

M.W.:
593.21

10 activity values

Type:
Small molecule

AlogP:
9.08

Polar Surface Area:
64.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA39617

Name:
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-chloro-pyridin-2-ylmethoxyShow More⌵

Mol. Formula:
C30H32Cl2N2O3S

M.W.:
571.57

9 activity values

Type:
Small molecule

AlogP:
8.51

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA40073

Name:
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyridin-3-ylmethoxy)-1H-indoShow More⌵

Mol. Formula:
C30H33ClN2O3S

M.W.:
537.13

6 activity values

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA38513

Name:
[3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyridin-2-ylmethoxy)-1H-indShow More⌵

Mol. Formula:
C32H36ClN3O4S

M.W.:
594.18

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
85.94

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA38949

Name:
[3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(6-chloro-pyridin-2-ylmethoxShow More⌵

Mol. Formula:
C32H35Cl2N3O4S

M.W.:
628.62

Type:
Small molecule

AlogP:
8.52

Polar Surface Area:
85.94

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA289751

Name:
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thiazol-4-ylmethoxy)-1H-indoShow More⌵

Mol. Formula:
C28H31ClN2O3S2

M.W.:
543.15

10 activity values

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
64.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA289586

Name:
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thiazol-2-ylmethoxy)-1H-indoShow More⌵

Mol. Formula:
C28H31ClN2O3S2

M.W.:
543.15

3 unique targets

Type:
Small molecule

AlogP:
7.92

Polar Surface Area:
64.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA444304

Name:
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(naphthalen-2-ylmethoxy)-1H-iShow More⌵

Mol. Formula:
C35H36ClNO3S

M.W.:
586.20