Compounds

ALA5192597

Name:
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)Show More⌵

Mol. Formula:
C55H76N8O13

M.W.:
1057.26

7 activity values

6 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5188873

Name:
(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(benShow More⌵

Mol. Formula:
C58H82N8O13

M.W.:
1099.34

3 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5184970

Name:
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)Show More⌵

Mol. Formula:
C59H84N8O13

M.W.:
1113.36

5 activity values

4 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5184529

Name:
benzyl N-[(1S)-1-[[(1S)-4-amino-1-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-[[(1R)-2-[(Show More⌵

Mol. Formula:
C151H215N33O35

M.W.:
3052.58

8 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5184180

Name:
benzyl N-[(1S)-1-[[(1S)-4-amino-1-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-[[(1R)-2-[(Show More⌵

Mol. Formula:
C151H215N33O34

M.W.:
3036.58

8 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5179569

Name:
(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(benShow More⌵

Mol. Formula:
C54H74N8O12

M.W.:
1027.23

3 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4802569

Name:
(2R)-2-[[N-[2-(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]amino]-3-ethoxy-N-(Show More⌵

Mol. Formula:
C23H31N5O7S

M.W.:
521.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
181.93

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4799250

Name:
(R)-3-cyclohexyl-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(5-(N,N-dShow More⌵

Mol. Formula:
C31H42F3N5O8S

M.W.:
701.77

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
149.92

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4798170

Name:
(R)-3-cyclohexyl-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methylShow More⌵

Mol. Formula:
C33H44F3N5O9S

M.W.:
743.80

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
159.15

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4797663

Name:
(R)-2-(3-(2-(3,5-bis(trifluoromethyl)phenyl)acetyl)guanidino)-2-cyclohexyl-Show More⌵

Mol. Formula:
C30H34F9N5O6S

M.W.:
763.68

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
140.25

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4796144

Name:
(R)-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-3-(2-fluorophenyl)-N-(2-Show More⌵

Mol. Formula:
C29H31F4N5O8S

M.W.:
685.65

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
172.70

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4795135

Name:
2-(3,4-dimethoxyphenyl)-N-(N-(2-((2-methyl-5-sulfamoylphenyl)amino)-2-oxoetShow More⌵

Mol. Formula:
C22H26F3N5O8S

M.W.:
577.54

3 activity values

2 unique targets

Type:
Unknown

AlogP:
0.48

Polar Surface Area:
172.70

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4795048

Name:
(R)-3-cyclohexyl-N-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)-2-(3-(2-(naphShow More⌵

Mol. Formula:
C33H40F3N5O6S

M.W.:
691.77

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
131.46

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4794632

Name:
(R)-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methyl-5-sulfamoylpShow More⌵

Mol. Formula:
C26H34F3N5O8S

M.W.:
633.65

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
172.70

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4794580

Name:
(R)-3-cyclohexyl-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methylShow More⌵

Mol. Formula:
C31H42F3N5O10S2

M.W.:
765.83

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
184.06

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4793769

Name:
(S)-3-cyclohexyl-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methylShow More⌵

Mol. Formula:
C30H40F3N5O8S

M.W.:
687.74

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
158.71

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4792649

Name:
(R)-2-(3-(2-(3-chloro-5-methoxyphenyl)acetyl)guanidino)-3-cyclohexyl-N-(2-mShow More⌵

Mol. Formula:
C29H37ClF3N5O7S

M.W.:
692.16

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
149.48

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4792598

Name:
(R)-2-(3-(2-(3,5-bis(trifluoromethyl)phenyl)acetyl)guanidino)-3-cyclohexyl-Show More⌵

Mol. Formula:
C31H36F9N5O6S

M.W.:
777.71

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
131.46

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4791822

Name:
(R)-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methyl-5-(N-methylsShow More⌵

Mol. Formula:
C30H34F3N5O8S

M.W.:
681.69

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
158.71

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4791638

Name:
(R)-2-cyclohexyl-2-(3-(2-(3,4-dimethoxyphenyl)acetyl)guanidino)-N-(2-methylShow More⌵

Mol. Formula:
C28H36F3N5O8S

M.W.:
659.68

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
172.70

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS