Compounds

ALA4104560

Name:
(2S,3R)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-metShow More⌵

Mol. Formula:
C38H47N7O4S

M.W.:
697.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4103740

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-2-((R)-3-Show More⌵

Mol. Formula:
C36H43N7O6S

M.W.:
701.85

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
219.62

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4103673

Name:
(S)-2-amino-N-((R)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C42H45N9O6S

M.W.:
803.95

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
261.43

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4101897

Name:
(S)-N-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-ylaminShow More⌵

Mol. Formula:
C36H43N7O4S

M.W.:
669.85

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4101235

Name:
(2S,3S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-metShow More⌵

Mol. Formula:
C38H47N7O4S

M.W.:
697.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4100506

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-methyl-Show More⌵

Mol. Formula:
C37H45N7O4S

M.W.:
683.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4099552

Name:
(S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-(3-chlorophenylShow More⌵

Mol. Formula:
C36H43ClN8O5S

M.W.:
735.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
225.41

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4094168

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3,3-dimetShow More⌵

Mol. Formula:
C38H47N7O4S

M.W.:
697.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4093566

Name:
(2S)-2-[[(2S)-2-[[2-(1-adamantyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoylShow More⌵

Mol. Formula:
C39H51N7O5S

M.W.:
729.95

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
199.39

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4093487

Name:
(S)-2-amino-N-((R)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C40H44N8O7S

M.W.:
780.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
265.87

HBA:
11

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4091809

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-2-((R)-3-Show More⌵

Mol. Formula:
C36H43N7O5S

M.W.:
685.85

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
199.39

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4089262

Name:
(S)-2-amino-N-((R)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C40H44N8O8S

M.W.:
796.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
286.10

HBA:
12

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4086405

Name:
(2S,3S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-hydShow More⌵

Mol. Formula:
C36H43N7O5S

M.W.:
685.85

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
199.39

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4085747

Name:
(S)-2-amino-N-((R)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C38H42N8O6S2

M.W.:
770.94

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
245.64

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4085021

Name:
(S)-2-amino-N-((R)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxoShow More⌵

Mol. Formula:
C37H41N9O6S2

M.W.:
771.93

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
258.53

HBA:
12

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4084785

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-4-methyl-Show More⌵

Mol. Formula:
C38H47N7O4S

M.W.:
697.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4084047

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-2-((R)-3-Show More⌵

Mol. Formula:
C46H47N7O5S

M.W.:
809.99

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
199.39

HBA:
8

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4083908

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-2-((S)-4-Show More⌵

Mol. Formula:
C37H45N7O4S

M.W.:
683.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4081543

Name:
(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-methyl-Show More⌵

Mol. Formula:
C33H40N8O4S2

M.W.:
676.87

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
192.05

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4080327

Name:
(2R,3S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-3-metShow More⌵

Mol. Formula:
C38H47N7O4S

M.W.:
697.91

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
179.16

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS