Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5198828

Name:
1-(2-(4-(2,8-dihydroxy-11-oxo-5,11-dihydro-6H-chromeno[4,3-c]cinnolin-6-yl)Show More⌵

Mol. Formula:
C30H27N3O7

M.W.:
541.56

6 activity values

2 unique targets

Type:
---

AlogP:
4.75

Polar Surface Area:
135.71

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5198271

Name:
4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)benzene-1,2-Show More⌵

Mol. Formula:
C19H14ClN3O2S

M.W.:
383.86

2 activity values

Type:
---

AlogP:
5.04

Polar Surface Area:
78.27

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5196589

Name:
1-naphthyl 2-(4-hydroxyphenyl)-3-(4-phenylselanylphenyl)-7-oxabicyclo[2.2.1Show More⌵

Mol. Formula:
C34H26O5SSe

M.W.:
625.60

64 activity values

8 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5196340

Name:
2,8-dihydroxy-6-(2-oxo-3-(piperidin-1-ylmethoxy)propyl)-5,6-dihydro-11H-chrShow More⌵

Mol. Formula:
C24H25N3O6

M.W.:
451.48

6 activity values

2 unique targets

Type:
---

AlogP:
3.05

Polar Surface Area:
115.48

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5205916

Name:
8-(2-chloro-4-(trifluoromethyl)phenyl)-9-(4-((1-(3-fluoropropyl)azetidin-3-Show More⌵

Mol. Formula:
C32H28ClF4NO2

M.W.:
570.03

Type:
---

AlogP:
8.41

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5203282

Name:
(4-(2-(1,7-naphthyridin-7(8H)-yl)ethoxy)-3-methylphenyl)(3-(4-hydroxyphenylShow More⌵

Mol. Formula:
C33H28N2O5

M.W.:
532.60

25 activity values

8 unique targets

Type:
---

AlogP:
5.85

Polar Surface Area:
92.12

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5202659

Name:
(4-methoxyphenyl)3-(4-hydroxyphenyl)-2-(4-phenylselanylphenyl)-7-oxabicycloShow More⌵

Mol. Formula:
C31H26O6SSe

M.W.:
605.57

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5201138

Name:
N-(4-aminobenzyl)-2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-amine

Mol. Formula:
C19H15ClN4S

M.W.:
366.88

2 activity values

Type:
---

AlogP:
5.21

Polar Surface Area:
63.83

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5201046

Name:
(3-chlorophenyl)2-(4-hydroxyphenyl)-3-(4-phenylselanylphenyl)-7-oxabicyclo[Show More⌵

Mol. Formula:
C30H23ClO5SSe

M.W.:
609.99

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200485

Name:
[4-(trifluoromethyl)phenyl]3-(4-hydroxyphenyl)-2-(4-phenylselanylphenyl)-7-Show More⌵

Mol. Formula:
C31H23F3O5SSe

M.W.:
643.54

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200303

Name:
phenyl 3-(4-hydroxyphenyl)-2-(4-phenylselanylphenyl)-7-oxabicyclo[2.2.1]hepShow More⌵

Mol. Formula:
C30H24O5SSe

M.W.:
575.54

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199888

Name:
1-naphthyl 3-(4-hydroxyphenyl)-2-(4-phenylselanylphenyl)-7-oxabicyclo[2.2.1Show More⌵

Mol. Formula:
C34H26O5SSe

M.W.:
625.60

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199803

Name:
1-[2-[4-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-2-oxo-chromen-4-yl]amino]acetyl]Show More⌵

Mol. Formula:
C32H30N2O8

M.W.:
570.60

40 activity values

11 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
149.54

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5199211

Name:
9-(4-((1-(3,3-difluoropropyl)azetidin-3-yl)methyl)phenyl)-8-(3-fluoro-2-(trShow More⌵

Mol. Formula:
C32H29F6NO2

M.W.:
573.58

Type:
---

AlogP:
7.97

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5209367

Name:
[3-(trifluoromethyl)phenyl]2-(4-hydroxyphenyl)-3-(4-phenylselanylphenyl)-7-Show More⌵

Mol. Formula:
C31H23F3O5SSe

M.W.:
643.54

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5209281

Name:
8-(2,4-dichlorophenyl)-9-(3,5-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yliShow More⌵

Mol. Formula:
C31H27Cl3F3NO2

M.W.:
608.92

Type:
---

AlogP:
8.32

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5209099

Name:
2,8-dihydroxy-6-(4-(2-(methylamino)ethoxy)phenyl)-5,6-dihydro-11H-chromeno[Show More⌵

Mol. Formula:
C24H21N3O5

M.W.:
431.45

6 activity values

2 unique targets

Type:
---

AlogP:
3.95

Polar Surface Area:
107.20

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5208093

Name:
4-(((2-chloro-5-(2-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)amino)methyl)phShow More⌵

Mol. Formula:
C19H13Cl2N3OS

M.W.:
402.31

2 activity values

Type:
---

AlogP:
5.98

Polar Surface Area:
58.04

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5208061

Name:
8-(4-cyclopropyl-2-methylphenyl)-9-(4-((1-(3-fluoropropyl)azetidin-3-ylidenShow More⌵

Mol. Formula:
C35H36FNO2

M.W.:
521.68