Compounds

Type:
---

AlogP:
-1.74

Polar Surface Area:
237.92

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5204930

Name:
N-(2,3-bis((4-bromophenyl)amino)-7-chloroquinoxali
Show More⌵

Mol. Formula:
C21H16Br2ClN5O2S

M.W.:
597.72

Type:
---

AlogP:
6.67

Polar Surface Area:
96.01

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5204305

Name:
((S)-2,2-difluoro-4-(2-((S)-3-methyl-2-(2-phenylac
Show More⌵

Mol. Formula:
C22H28F2N4O7

M.W.:
498.48

Type:
---

AlogP:
-0.60

Polar Surface Area:
170.77

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5203212

Name:
((S)-4-(2-((S)-2-((2S,3S)-2-acetamido-3-methylpent
Show More⌵

Mol. Formula:
C22H35F2N5O8

M.W.:
535.55

Type:
---

AlogP:
-1.30

Polar Surface Area:
199.87

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5201848

Name:
(2S,3R)-2-((S)-2-acetamido-2-cyclopentylacetamido)
Show More⌵

Mol. Formula:
C18H31BN4O7

M.W.:
426.28

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199452

Name:
(2S,3S)-N-[(1S,2R)-2-(benzyloxy)-1-{[(1S)-1-{[(2S)
Show More⌵

Mol. Formula:
C26H37F3N4O6

M.W.:
558.60

Type:
---

AlogP:
1.77

Polar Surface Area:
142.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5196773

Name:
2-((2,5-dimethylphenyl)amino)-N-(3-ethylphenyl)-5-
Show More⌵

Mol. Formula:
C26H23N5O2S

M.W.:
469.57

3 activity values

Type:
---

AlogP:
5.48

Polar Surface Area:
88.39

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5194400

Name:
((2R,8S,11S)-11-cyclopentyl-8-methyl-4,7,10,13-tet
Show More⌵

Mol. Formula:
C16H29BN4O6

M.W.:
384.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192614

Name:
((2R,8S,11S)-11-((S)-sec-butyl)-8-((R)-1-hydroxyet
Show More⌵

Mol. Formula:
C16H31BN4O7

M.W.:
402.26

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192502

Name:
N2,N3-bis(4-bromo-3-chlorophenyl)quinoxaline-2,3-d
Show More⌵

Mol. Formula:
C20H12Br2Cl2N4

M.W.:
539.06

Type:
---

AlogP:
7.95

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5188719

Name:
(4S,7S)-4-cyclopentyl-7-((R)-1-hydroxyethyl)-13-me
Show More⌵

Mol. Formula:
C22H35N5O9

M.W.:
513.55

Type:
---

AlogP:
-2.67

Polar Surface Area:
220.10

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5186965

Name:
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-(2-(cyc
Show More⌵

Mol. Formula:
C25H27ClN4O5

M.W.:
498.97

3 activity values

Type:
---

AlogP:
2.83

Polar Surface Area:
111.43

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5184663

Name:
((2R,8S,11S)-11-cyclopentyl-8-isopropyl-4,7,10,13-
Show More⌵

Mol. Formula:
C18H33BN4O6

M.W.:
412.30

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5182025

Name:
(3S,6S,10S,13S,16S,19S,22S)-3-(((S)-5-amino-1-(((S
Show More⌵

Mol. Formula:
C49H82N14O19

M.W.:
1171.27

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5180525

Name:
((2R,8S,11S)-11-cyclopentyl-8-((R)-1-hydroxyethyl)
Show More⌵

Mol. Formula:
C17H31BN4O7

M.W.:
414.27

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5172494

Name:
N2,N3-bis(4-bromophenyl)-7-chloroquinoxaline-2,3,6
Show More⌵

Mol. Formula:
C20H14Br2ClN5

M.W.:
519.63

Type:
---

AlogP:
6.88

Polar Surface Area:
75.86

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5169486

Name:
(4S,7S,10S,13S)-4-((S)-sec-butyl)-15,15-difluoro-7
Show More⌵

Mol. Formula:
C20H32F2N4O8

M.W.:
494.49

Type:
---

AlogP:
-1.30

Polar Surface Area:
191.00

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3354605

Name:
(4S,7S,10S,13S)-16-(3-amino-3-oxopropyl)-4-(4-amin
Show More⌵

Mol. Formula:
C30H53ClN8O11

M.W.:
737.25

Type:
Small molecule

AlogP:
-3.57

Polar Surface Area:
318.31

HBA:
11

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA3326345

Name:
(4S,7S)-4-sec-butyl-7-((R)-1-hydroxyethyl)-13-isop
Show More⌵

Mol. Formula:
C23H39N5O9

M.W.:
529.59

Type:
Small molecule

AlogP:
-2.18

Polar Surface Area:
220.10

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3326344

Name:
3-(3-{2-[(2S,3R)-2-((2S,3S)-2-Acetylamino-3-methyl
Show More⌵

Mol. Formula:
C21H37N5O9

M.W.:
503.55