Compounds

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
272.09

HBA:
14

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1672106

Name:
Sodium 1-Amino-4-[4-(4,6-dihydroxy[1,3,5]triazine-2-ylamino)-phenylamino]-9Show More⌵

Mol. Formula:
C23H15N6NaO7S

M.W.:
542.47

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
217.72

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1672105

Name:
Sodium 1-Amino-4-[3-(4,6-dichloro[1,3,5]triazine-2-ylamino)-phenylamino]-9,Show More⌵

Mol. Formula:
C23H13Cl2N6NaO5S

M.W.:
579.36

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
177.26

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

Azure KX

Name:
Disodium 1-Amino-4-[3-(4,6-dichloro[1,3,5]triazine-2-ylamino)-4-sulfophenylShow More⌵

Mol. Formula:
C23H12Cl2N6Na2O8S2

M.W.:
681.40

29 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
231.63

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1672103

Name:
sodium 1-amino-4-(3-amino-2-methylphenylamino)-9,10-dioxo-9,10-dihydroanthrShow More⌵

Mol. Formula:
C21H16N3NaO5S

M.W.:
445.43

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
152.58

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1672102

Name:
sodium 1-amino-4-(3-carboxy-4-hydroxyphenylamino)-9,10-dioxo-9,10-dihydroanShow More⌵

Mol. Formula:
C21H13N2NaO8S

M.W.:
476.40

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
184.09

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1672101

Name:
Sodium 1-Amino-4-(3-phenoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2Show More⌵

Mol. Formula:
C26H17N2NaO6S

M.W.:
508.49

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1672100

Name:
Sodium1-Amino-4-(3-benzylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sShow More⌵

Mol. Formula:
C27H19N2NaO5S

M.W.:
506.52

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1672099

Name:
Sodium 1-amino-4-(3,5-difluorophenylamino)-9,10-dioxo-9,10-dihydroanthracenShow More⌵

Mol. Formula:
C20H11F2N2NaO5S

M.W.:
452.37

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1672098

Name:
sodium 1-amino-4-(3-bromophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sShow More⌵

Mol. Formula:
C20H12BrN2NaO5S

M.W.:
495.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1671997

Name:
Sodium 1-amino-4-(3-fluorophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-Show More⌵

Mol. Formula:
C20H12FN2NaO5S

M.W.:
434.38

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1671996

Name:
Sodium 1-amino-4-(3,5-dimethoxyphenylamino)-9,10-dioxo-9,10-dihydroanthraceShow More⌵

Mol. Formula:
C22H17N2NaO7S

M.W.:
476.44

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
145.02

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1671995

Name:
sodium 1-amino-4-(3-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2Show More⌵

Mol. Formula:
C21H15N2NaO6S

M.W.:
446.42

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1671994

Name:
sodium 1-amino-4-(3,5-dimethylphenylamino)-9,10-dioxo-9,10-dihydroanthracenShow More⌵

Mol. Formula:
C22H17N2NaO5S

M.W.:
444.44

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1671993

Name:
Sodium 1-amino-4-(3-ethylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sShow More⌵

Mol. Formula:
C22H17N2NaO5S

M.W.:
444.44

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1671992

Name:
Sodium 1-amino-4-(3-trifluoromethylphenylamino)-9,10-dioxo-9,10-dihydroanthShow More⌵

Mol. Formula:
C21H12F3N2NaO5S

M.W.:
484.39

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1671991

Name:
1-amino-2-methyl-4-(m-tolylamino)anthracene-9,10-dione

Mol. Formula:
C22H18N2O2

M.W.:
342.40