Compounds

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
78.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA450786

Name:
(R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimet
Show More⌵

Cas Number:
477575-56-7

Mol. Formula:
C32H34Cl2N4O4S

M.W.:
641.62

1,412 activity values

1,012 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
102.58

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA441166

Name:
Phenyl-carbamic acid 5,10-dioxo-5,10-dihydro-benzo
Show More⌵

Mol. Formula:
C21H14N2O4

M.W.:
358.35

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
85.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA171843

Name:
Isopropyl-carbamic acid 5,10-dioxo-5,10-dihydro-be
Show More⌵

Mol. Formula:
C18H16N2O4

M.W.:
324.34

4 activity values

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
85.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA172929

Name:
3-Bromomethyl-benzo[g]quinoline-5,10-dione

Mol. Formula:
C14H8BrNO2

M.W.:
302.13

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA172953

Name:
3-Methyl-benzo[g]quinoline-5,10-dione

Mol. Formula:
C14H9NO2

M.W.:
223.23

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA413048

Name:
3-Hydroxymethyl-benzo[g]quinoline-5,10-dione

Mol. Formula:
C14H9NO3

M.W.:
239.23

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
67.26

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA172067

Name:
Acetic acid 5,10-dioxo-5,10-dihydro-benzo[g]quinol
Show More⌵

Mol. Formula:
C16H11NO4

M.W.:
281.27

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
73.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA58051

Name:
2-(4-Acetyl-piperazin-1-yl)-3-fluoro-5-oxo-5H-7-ox
Show More⌵

Mol. Formula:
C22H18FN3O5

M.W.:
423.40

3 activity values

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
95.47

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA293053

Name:
3-Fluoro-5-oxo-2-piperazin-1-yl-5H-7-oxa-11b-aza-b
Show More⌵

Mol. Formula:
C20H16FN3O4

M.W.:
381.36

3 activity values