Compounds

Type:
---

AlogP:
5.61

Polar Surface Area:
119.25

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4798860

Name:
2,2'-(1-hydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxo-9H-xanthene-3,6Show More⌵

Mol. Formula:
C32H40N2O8

M.W.:
580.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
118.75

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4798515

Name:
4-Chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-(trifluoShow More⌵

Mol. Formula:
C21H11ClF3NO6S

M.W.:
497.83

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
120.77

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4796535

Name:
3,6,7-trihydroxy-1-(4-(indolin-1-yl)butoxy)-9H-xanthen-9-one

Mol. Formula:
C25H23NO6

M.W.:
433.46

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
103.37

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4795940

Name:
2,3,6,8-tetrahydroxy-1-propyl-9H-xanthen-9-one

Mol. Formula:
C16H14O6

M.W.:
302.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
111.13

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4793513

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-4-(3,5-dimethylpipeShow More⌵

Mol. Formula:
C27H26N2O6S

M.W.:
506.58

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
124.01

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4790666

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)quinoline-8-sulfonamShow More⌵

Mol. Formula:
C23H14N2O6S

M.W.:
446.44

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
133.66

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4789955

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)naphthalene-2-sulfonShow More⌵

Mol. Formula:
C24H15NO6S

M.W.:
445.45

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
120.77

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4787732

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)thiophene-2-sulfonamShow More⌵

Mol. Formula:
C18H11NO6S2

M.W.:
401.42

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
120.77

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4784572

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-4'-fluoro-[1,1'-bipShow More⌵

Mol. Formula:
C26H16FNO6S

M.W.:
489.48

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
120.77

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4783891

Name:
1-butoxy-3,6,7-trihydroxy-9H-xanthen-9-one

Mol. Formula:
C17H16O6

M.W.:
316.31

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4782282

Name:
N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2,4-dimethoxybenzenShow More⌵

Mol. Formula:
C22H17NO8S

M.W.:
455.44