Compounds

ALA5272235

Name:
(2S)-2-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahShow More⌵

Mol. Formula:
C18H24N6O8

M.W.:
452.42

Type:
---

AlogP:
-0.03

Polar Surface Area:
205.55

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270784

Name:
6'-bromo-3-(hydroxyimino)-7-methyl-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C17H12BrN3O2

M.W.:
370.21

Type:
---

AlogP:
3.72

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5269708

Name:
7-((5-((4-methoxyphenyl)amino)-1,3,4-thiadiazol-2-yl)methoxy)-4-methyl-2H-cShow More⌵

Mol. Formula:
C20H17N3O4S

M.W.:
395.44

Type:
---

AlogP:
4.28

Polar Surface Area:
86.48

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269629

Name:
(3aS,4R,7S,9R,10R,11S,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-Show More⌵

Mol. Formula:
C43H63FN4O10

M.W.:
814.99

Type:
---

AlogP:
5.33

Polar Surface Area:
166.06

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5269080

Name:
(3aS,4R,7S,9R,10R,11S,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-Show More⌵

Mol. Formula:
C43H62FN3O11

M.W.:
815.98

Type:
---

AlogP:
5.30

Polar Surface Area:
163.26

HBA:
13

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268972

Name:
6'-bromo-7-fluoro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H9BrFN3O2

M.W.:
374.17

Type:
---

AlogP:
3.56

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5268647

Name:
6',7-dibromo-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H9Br2N3O2

M.W.:
435.07

Type:
---

AlogP:
4.18

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5268110

Name:
6'-bromo-5,6-difluoro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H8BrF2N3O2

M.W.:
392.16

Type:
---

AlogP:
3.69

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5280403

Name:
6'-bromo-3-(hydroxyimino)-7-phenyl-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C22H14BrN3O2

M.W.:
432.28

Type:
---

AlogP:
5.08

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5280304

Name:
N-(3-((3aS,4R,7S,9R,10R,11S,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamiShow More⌵

Mol. Formula:
C52H71FN4O11

M.W.:
947.15

Type:
---

AlogP:
6.89

Polar Surface Area:
174.34

HBA:
13

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5279707

Name:
(3aS,4R,7S,9R,10R,11S,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-Show More⌵

Mol. Formula:
C43H63FN4O10

M.W.:
814.99

Type:
---

AlogP:
5.33

Polar Surface Area:
166.06

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5279541

Name:
6'-bromo-5,6-dichloro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H8BrCl2N3O2

M.W.:
425.07

Type:
---

AlogP:
4.72

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5279034

Name:
N-(3-((3aS,4R,7S,9R,10R,11S,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamiShow More⌵

Mol. Formula:
C45H65FN4O11

M.W.:
857.03

Type:
---

AlogP:
5.27

Polar Surface Area:
174.34

HBA:
13

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5278960

Name:

Mol. Formula:
C23H24N6OS

M.W.:
432.55

Type:
---

AlogP:
5.06

Polar Surface Area:
86.32

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278862

Name:
5-(4-fluorophenyl)-7-(2-hydroxyphenyl)-6-(piperidine-1-carbonyl)-2-thioxo-2Show More⌵

Mol. Formula:
C25H22FN3O4S

M.W.:
479.53

Type:
---

AlogP:
4.23

Polar Surface Area:
98.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5278084

Name:
6'-fluoro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H10FN3O2

M.W.:
295.27

Type:
---

AlogP:
2.79

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5276436

Name:
6'-bromo-5-fluoro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H9BrFN3O2

M.W.:
374.17

Type:
---

AlogP:
3.56

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5276390

Name:
6'-bromo-3-(hydroxyimino)-5-methyl-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C17H12BrN3O2

M.W.:
370.21

Type:
---

AlogP:
3.72

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5275751

Name:
6'-bromo-3-(hydroxyimino)-7-(trifluoromethyl)-[2,3'-biindolinylidene]-2'-onShow More⌵

Mol. Formula:
C17H9BrF3N3O2

M.W.:
424.18

Type:
---

AlogP:
4.44

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5275272

Name:
6'-bromo-7-chloro-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one

Mol. Formula:
C16H9BrClN3O2

M.W.:
390.62

Type:
---

AlogP:
4.07

Polar Surface Area:
73.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS