Compounds

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
116.73

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4638767

Name:
4-(5-(4-chlorophenyl)-2-oxo-3-(4-(trifluoromethyl)benzylidene)-2,3-dihydro-Show More⌵

Mol. Formula:
C24H16ClF3N2O3S

M.W.:
504.92

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
80.47

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4638485

Name:
4-(5-(4-chlorophenyl)-2-oxo-3-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1H-Show More⌵

Mol. Formula:
C26H23ClN2O6S

M.W.:
527.00

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
108.16

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4638260

Name:
3-(N-(2-chlorophenyl)sulfamoyl)-N-(2-(2-(1-(4-fluorophenyl)ethylidene)hydraShow More⌵

Mol. Formula:
C23H20ClFN4O4S

M.W.:
502.96

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
116.73

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3747146

Name:
(E)-3-((1-phenyl-5-(4-sulfamoylphenyl)-1H-1,2,4-triazol-3-yl)thio)propyl 3-Show More⌵

Mol. Formula:
C26H24N4O6S2

M.W.:
552.63

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
157.63

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3746054

Name:
(E)-4-(3-oxo-3-(3-((1-phenyl-5-(4-sulfamoylphenyl)-1H-1,2,4-triazol-3-yl)thShow More⌵

Mol. Formula:
C30H28N4O8S2

M.W.:
636.71

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
169.77

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3746721

Name:
(E)-4-(3-oxo-3-(2-((1-phenyl-5-(4-sulfamoylphenyl)-1H-1,2,4-triazol-3-yl)thShow More⌵

Mol. Formula:
C29H26N4O8S2

M.W.:
622.68

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
169.77

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3746708

Name:
(E)-4-(3-(2-((1-(4-bromophenyl)-5-(4-sulfamoylphenyl)-1H-1,2,4-triazol-3-ylShow More⌵

Mol. Formula:
C29H25BrN4O8S2

M.W.:
701.58

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
169.77

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3746572

Name:
(E)-2-((5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-1,2,4-triazol-3-yl)thio)etShow More⌵

Mol. Formula:
C27H25N3O6S2

M.W.:
551.65

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
120.61

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3747480

Name:
(E)-2-((5-(4-(methylsulfonyl)phenyl)-1-phenyl-1H-1,2,4-triazol-3-yl)thio)etShow More⌵

Mol. Formula:
C29H27N3O7S2

M.W.:
593.68

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
126.68

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA363052

Name:
3-(4-Azido-phenyl)-6-(4-methoxy-phenyl)-4-phenyl-pyran-2-one

Mol. Formula:
C24H17N3O3

M.W.:
395.42

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
88.20

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA349600

Name:
4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-butyric acid

Mol. Formula:
C21H22BrNO3

M.W.:
416.32

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA159315

Name:
[5-Methoxy-2-methyl-1-(2,4,6-trichloro-benzoyl)-1H-indol-3-yl]-acetic acid

Mol. Formula:
C19H14Cl3NO4

M.W.:
426.68

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
68.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA162743

Name:
3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-butyric acid

Mol. Formula:
C21H22BrNO3

M.W.:
416.32

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA162324

Name:
2-[1-(4-Chloro-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-propionic acid

Mol. Formula:
C20H20ClNO3

M.W.:
357.84

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA159740

Name:
3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-methyl-propionic Show More⌵

Mol. Formula:
C21H22BrNO3

M.W.:
416.32

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA348945

Name:
(R)-4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-methyl-butyriShow More⌵

Mol. Formula:
C22H24BrNO3

M.W.:
430.34

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA164194

Name:
(2R,3S)-3-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-methyl-buShow More⌵

Mol. Formula:
C22H24BrNO3

M.W.:
430.34

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA162776

Name:
{1-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-ylmethyl]-cyclopropyl}Show More⌵

Mol. Formula:
C23H24BrNO3

M.W.:
442.35

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA352174

Name:
4-[1-(4-Bromo-benzyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-methyl-butyric acShow More⌵

Mol. Formula:
C22H24BrNO3

M.W.:
430.34

7 activity values