Compounds

5(S),14(R)-Lipoxin B4

Name:
Lipoxin A4

Mol. Formula:
C20H32O5

M.W.:
352.47

3 activity values

1 unique targets

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
97.99

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4105652

Name:
N-(1-Amino-2-(ethylthio)ethylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)Show More⌵

Mol. Formula:
C25H23Cl2N5O2S2

M.W.:
560.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
100.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4105393

Name:
(4R)-(-)-N-(1-aminoethylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfoShow More⌵

Mol. Formula:
C24H21Cl2N5O2S

M.W.:
514.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4104443

Name:
N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-iodophenyl)sulfonyl)-4-phenShow More⌵

Mol. Formula:
C24H21ClIN5O2S

M.W.:
605.89

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4103682

Name:
N-(1-Amino-2,2-dimethylpropylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)Show More⌵

Mol. Formula:
C27H27Cl2N5O2S

M.W.:
556.52

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4103562

Name:
Methyl N'-(3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(((4-(trShow More⌵

Mol. Formula:
C25H21ClF3N5O2S2

M.W.:
580.06

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
100.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4100767

Name:
N-(Amino(3-methoxyphenyl)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)Show More⌵

Mol. Formula:
C30H25Cl2N5O3S

M.W.:
606.54

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
109.71

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4098324

Name:
N-(Amino(4-bromophenyl)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)suShow More⌵

Mol. Formula:
C29H22BrCl2N5O2S

M.W.:
655.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.71

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4097908

Name:
N-(1-Amino-2-(benzylthio)ethylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenylShow More⌵

Mol. Formula:
C30H25Cl2N5O2S2

M.W.:
622.60

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
100.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4097409

Name:
N-(Amino(4-chlorophenyl)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sShow More⌵

Mol. Formula:
C29H22Cl3N5O2S

M.W.:
610.95

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4095928

Name:
N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-isopropylphenyl)sulfonyl)-4Show More⌵

Mol. Formula:
C27H28ClN5O2S

M.W.:
522.07

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4095806

Name:
Methyl N'-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)((naphtShow More⌵

Mol. Formula:
C28H24ClN5O2S2

M.W.:
562.12

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
100.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4093905

Name:
(4S)-(-)-N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfoShow More⌵

Mol. Formula:
C24H21Cl2N5O2S

M.W.:
514.44

26 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4092420

Name:
N-(1-Aminoethylidene)-N'-((4-bromophenyl)sulfonyl)-3-(4-chlorophenyl)-4-pheShow More⌵

Mol. Formula:
C24H21BrClN5O2S

M.W.:
558.89

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4091555

Name:
N-(1-Amino-2-methylpropylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfShow More⌵

Mol. Formula:
C26H25Cl2N5O2S

M.W.:
542.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4091213

Name:
N-(1-Aminoethylidene)-3-(4-chlorophenyl)-4-phenyl-N'-(phenylsulfonyl)-4,5-dShow More⌵

Mol. Formula:
C24H22ClN5O2S

M.W.:
479.99

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4090197

Name:
N-((1-Amino-2-((3-phenylpropyl)thio)ethylidene)-3-(4-chlorophenyl)-N'-((4-cShow More⌵

Mol. Formula:
C32H29Cl2N5O2S2

M.W.:
650.66

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.22

Polar Surface Area:
100.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4089687

Name:
N-(Amino(phenyl)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)Show More⌵

Mol. Formula:
C29H23Cl2N5O2S

M.W.:
576.51

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
100.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4089263

Name:
N-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(((4-chlorophenShow More⌵

Mol. Formula:
C28H22Cl2N6O2S

M.W.:
577.50

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
113.37

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4088193

Name:
N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-methoxyphenyl)sulfonyl)-4-pShow More⌵

Mol. Formula:
C25H24ClN5O3S

M.W.:
510.02

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
109.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS