Compounds

2 unique targets

Type:
---

AlogP:
5.22

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4099292

Name:
Sodium 1-Amino-4-[4-(3,4-dimethylphenylthio)phenylamino]-9,10-dioxo-9,10-diShow More⌵

Mol. Formula:
C28H21N2NaO5S2

M.W.:
552.61

5 activity values

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
126.56

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4098596

Name:
1-amino-4-(3-methoxyphenylamino)-2-methylanthracene-9,10-dione

Mol. Formula:
C22H18N2O3

M.W.:
358.40

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
81.42

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4095092

Name:
Sodium 1-Amino-4-(2-carboxy-4-nitrophenylamino)-9,10-dioxo-9,10-dihydroanthShow More⌵

Mol. Formula:
C21H12N3NaO9S

M.W.:
505.40

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
207.00

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4094930

Name:
Sodium 1-Amino-4-[4-(4-chlorophenoxy)phenylamino]-9,10-dioxo-9,10-dihydroanShow More⌵

Mol. Formula:
C26H16ClN2NaO6S

M.W.:
542.93

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4090874

Name:
Sodium 1-Amino-4-[4-(3-pyridin-3-ylmethylthio)phenylamino]-9,10-dioxo-9,10-Show More⌵

Mol. Formula:
C26H18N3NaO5S2

M.W.:
539.57

7 activity values

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
139.45

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4090513

Name:
Sodium 1-Amino-4-(4-fluoro-3-methoxyphenylamino)-9,10-dioxo-9,10-dihydroantShow More⌵

Mol. Formula:
C21H14FN2NaO6S

M.W.:
464.41

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4087247

Name:
Sodium 1-Amino-4-[4-(2,4-dimethylphenylthio)phenylamino]-9,10-dioxo-9,10-diShow More⌵

Mol. Formula:
C28H21N2NaO5S2

M.W.:
552.61

6 activity values

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
126.56

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4084432

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

Mol. Formula:
C20H12ClN2NaO5S

M.W.:
450.84

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4082692

Name:
Sodium 1-Amino-4-(4-chloro-3-methylphenylamino)-9,10-dioxo-9,10-dihydroanthShow More⌵

Mol. Formula:
C21H14ClN2NaO5S

M.W.:
464.86

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
126.56

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4081964

Name:
Sodium 1-Amino-4-(4-chloro-3-methoxyphenylamino)-9,10-dioxo-9,10-dihydroantShow More⌵

Mol. Formula:
C21H14ClN2NaO6S

M.W.:
480.86

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4081274

Name:
Sodium 1-Amino-4-[4-(2,5-dimethylphenylthio)phenylamino]-9,10-dioxo-9,10-diShow More⌵

Mol. Formula:
C28H21N2NaO5S2

M.W.:
552.61

5 activity values

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
126.56

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4080560

Name:
2-(4-amino-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-ylamino)-5-fluorobenShow More⌵

Mol. Formula:
C22H15FN2O4

M.W.:
390.37

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
109.49

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4079524

Name:
Sodium 1-Amino-4 (2-carboxy-3-fluorophenylamino)-9,10-dioxo-9,10-dihydroantShow More⌵

Mol. Formula:
C21H12FN2NaO7S

M.W.:
478.39

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
163.86

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4078095

Name:
Sodium 1-Amino-4-(4-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

ALA4074456

Name:
Sodium 1-Amino-4-[4-(4-fluorophenoxy)phenylamino]-9,10-dioxo-9,10-dihydroanShow More⌵

Mol. Formula:
C26H16FN2NaO6S

M.W.:
526.48

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4072198

Name:
Sodium 1-Amino-4-(3-methoxy-4-methylphenylamino)-9,10-dioxo-9,10-dihydroantShow More⌵

Mol. Formula:
C22H17N2NaO6S

M.W.:
460.44

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
135.79

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4069875

Name:
1-amino-4-(3-fluorophenylamino)-2-methylanthracene-9,10-dione

Mol. Formula:
C21H15FN2O2

M.W.:
346.36

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
72.19

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4069492

Name:
Sodium 1-Amino-4-(4-hydroxy-3-methylphenylamino)-9,10-dioxo-9,10-dihydroantShow More⌵

Mol. Formula:
C21H15N2NaO6S

M.W.:
446.42

5 activity values

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
146.79

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4067679

Name:
Sodium 1-Amino-4-(2-carboxy-4-hydroxyphenylamino)-9,10-dioxo-9,10-dihydroanShow More⌵

Mol. Formula:
C21H13N2NaO8S

M.W.:
476.40