Compounds

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
75.43

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4878302

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C24H27FN4O

M.W.:
406.51

18 activity values

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4878086

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C24H27ClN4O

M.W.:
422.96

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4877602

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C25H31N5O

M.W.:
417.56

13 activity values

4 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
77.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4876843

Name:
1'-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol
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Mol. Formula:
C22H18ClF4N3O

M.W.:
451.85

22 activity values

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4876167

Name:
(2R,3R,4R,5R)-2-(4-aminopyrrolo[1,2-f][1,2,4]triaz
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Cas Number:
2647442-13-3

Mol. Formula:
C24H31N5O7

M.W.:
501.54

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
168.13

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4875811

Name:
(2R,3R,4R,5R)-5-(acetoxymethyl)-2-(4-aminopyrrolo[
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Mol. Formula:
C18H19N5O7

M.W.:
417.38

4 unique targets

Type:
Unknown

AlogP:
-0.14

Polar Surface Area:
168.13

HBA:
12

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4874907

Name:
(2S,2'S)-bis(2-ethylbutyl)2,2'-((((2R,3S,4R,5R)-5-
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Mol. Formula:
C30H48N7O9P

M.W.:
681.73

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
232.65

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4874044

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C26H32N4O

M.W.:
416.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4873987

Name:
6'-fluoro-1'-[[5-methylsulfonyl-1-(4,4,4-trifluoro
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Mol. Formula:
C23H21F4N3O3S

M.W.:
495.50

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
72.27

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4872263

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C24H27ClN4O

M.W.:
422.96

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4872095

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
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Mol. Formula:
C24H27FN4O

M.W.:
406.51

12 activity values

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4869353

Name:
N-ethyl-2-[(6'-fluoro-2'-oxo-spiro[cyclopropane-1,
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Mol. Formula:
C25H25F4N5O

M.W.:
487.50

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
74.01

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4869069

Name:
cyclobutylmethyl 2-((((2R,3S,4R,5R)-5-(4-aminopyrr
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Mol. Formula:
C26H31N6O8P

M.W.:
586.54

Type:
Unknown

AlogP:
1.68

Polar Surface Area:
203.55

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4868500

Name:
1-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl]
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Mol. Formula:
C27H34N4O

M.W.:
430.60

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4865906

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl
Show More⌵

Mol. Formula:
C24H27ClN4O

M.W.:
422.96

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4859694

Name:
6'-fluoro-1'-[[1-(4,4,4-trifluorobutyl)benzimidazo
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Mol. Formula:
C22H19F4N3O

M.W.:
417.41

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4856498

Name:
cyclopropylmethyl 2-((((2R,3S,4R,5R)-5-(4-aminopyr
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Mol. Formula:
C25H29N6O8P

M.W.:
572.52

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
203.55

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1160590

Name:
5-{4,6-di[3-di(2-carbamoylethyl)sulfamoylanilino]-
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Mol. Formula:
C68H82N24O22S6

M.W.:
1779.95

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1160589

Name:
5-{4,6-di[5-di(2-carbamoylethyl)sulfamoyl-2-methyl
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Mol. Formula:
C70H86N24O22S6

M.W.:
1808.01