Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5208441

Name:
1-[2-[[2-[[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyShow More⌵

Mol. Formula:
C31H39ClF2N6O2

M.W.:
601.14

3 activity values

2 unique targets

Type:
---

AlogP:
4.36

Polar Surface Area:
96.49

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5207936

Name:

Mol. Formula:
C118H162N36O25S2

M.W.:
2548.95

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5206941

Name:
(5R,8S,11R,14S,17S,20R)-5-[[(2S)-2-acetamidohexanoyl]amino]-11-benzyl-14-(3Show More⌵

Mol. Formula:
C58H78N14O8S2

M.W.:
1163.49

4 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5206336

Name:
(5R,8S,11R,14S,17S,20R)-5-[[(2S)-2-acetamidohexanoyl]amino]-11-benzyl-14-(3Show More⌵

Mol. Formula:
C54H70N14O8S2

M.W.:
1107.38

12 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5206293

Name:

Mol. Formula:
C138H198N36O30S4

M.W.:
2969.59

8 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5205977

Name:
(3S,4R)-N-(2-benzylphenyl)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3Show More⌵

Mol. Formula:
C28H30F2N2O

M.W.:
448.56

Type:
---

AlogP:
6.01

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5205283

Name:
(5R,8S,11R,14S,17S,20R)-5-[[(2S)-2-acetamidohexanoyl]amino]-11-benzyl-14-(3Show More⌵

Mol. Formula:
C56H74N14O8S2

M.W.:
1135.43

12 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5204645

Name:
(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-N-(1-methylbenzimidazol-2-yl)pyShow More⌵

Mol. Formula:
C23H26F2N4O

M.W.:
412.48

Type:
---

AlogP:
4.30

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5204285

Name:

Mol. Formula:
C222H298N72O41S4

M.W.:
4759.56

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5203986

Name:

Mol. Formula:
C102H135N33O17S2

M.W.:
2159.55

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5203580

Name:
(5R,8S,11R,14S,17S,20R)-5-[[(2S)-2-acetamidohexanoyl]amino]-11-benzyl-14-(3Show More⌵

Mol. Formula:
C54H70N14O8S2

M.W.:
1107.38

12 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199932

Name:
(3S,6S,9S,12S,15S,18R,23R,26S,29S)-18-acetamido-9-benzyl-6-(3-guanidinopropShow More⌵

Mol. Formula:
C56H78N16O11S2

M.W.:
1215.47

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5198158

Name:
(S)-1-((S)-1-((6S,9S,15S,18S,21R,24S,27S,30S,33S,36S)-1-((S)-1-((S)-1-((2S,Show More⌵

Mol. Formula:
C146H218N40O32S2

M.W.:
3109.73

4 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5197030

Name:

Mol. Formula:
C142H208N36O30S2

M.W.:
2963.58

4 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5196957

Name:
(3S,4R)-1-tert-butyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-4-(2,4-difShow More⌵

Mol. Formula:
C25H27ClF2N4O

M.W.:
472.97

Type:
---

AlogP:
5.32

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5196407

Name:
(12S,4S,7R,17R,20S,23S,26S,29S,32S)-23-((1H-imidazol-5-yl)methyl)-32-((1H-iShow More⌵

Mol. Formula:
C66H90N16O11S2

M.W.:
1347.68

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5195937

Name:
(6S,9S,12S,15S,18S,21R,34R,37S,39aS)-15-((1H-imidazol-5-yl)methyl)-6-((1H-iShow More⌵

Mol. Formula:
C66H90N16O11S2

M.W.:
1347.68

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5195641

Name:
2-((1R,4S,7S,10S,13S,16S,19S,25S,28R,31S,34S,37S,40S,43S)-19,43-bis((1H-imiShow More⌵

Mol. Formula:
C94H127N33O17S2

M.W.:
2055.40

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5194901

Name:
(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-N-(1-phenylbenzimidazol-2-yl)pyShow More⌵

Mol. Formula:
C28H28F2N4O

M.W.:
474.56