Compounds

ALA3349357

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-(naphthalen-1-Show More⌵

Mol. Formula:
C29H35F6N3O8S2

M.W.:
731.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
104.89

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3349310

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-(3,4-dimethoxyShow More⌵

Mol. Formula:
C27H37F6N3O10S2

M.W.:
741.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
123.35

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2371387

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-butyrylamShow More⌵

Mol. Formula:
C19H38N4O4S2

M.W.:
450.67

2 activity values

2 unique targets

Type:
Protein

AlogP:
0.71

Polar Surface Area:
133.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2371383

Name:
(S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-methyl-pentanoylamino]-3-pheShow More⌵

Mol. Formula:
C23H37N3O4S2

M.W.:
483.70

2 activity values

2 unique targets

Type:
Protein

AlogP:
2.36

Polar Surface Area:
107.53

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2371378

Name:
(S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propylamino)-3-methyl-pentanoylaminShow More⌵

Mol. Formula:
C23H38N4O4S2

M.W.:
498.72

4 activity values

4 unique targets

Type:
Protein

AlogP:
1.30

Polar Surface Area:
133.55

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2371375

Name:
(S)-2-{(S)-2-[(S)-2-(3-Mercapto-propylamino)-3-methyl-butyrylamino]-3-methyShow More⌵

Mol. Formula:
C19H37N3O4S2

M.W.:
435.66

2 activity values

2 unique targets

Type:
Protein

AlogP:
1.77

Polar Surface Area:
107.53

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2371372

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamino)-3-methyl-pentanShow More⌵

Mol. Formula:
C19H36N4O6S

M.W.:
448.59

1 activity values

1 unique targets

Type:
Protein

AlogP:
-0.74

Polar Surface Area:
170.85

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2371371

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentanoylShow More⌵

Mol. Formula:
C19H38N4O5S

M.W.:
434.60

4 activity values

4 unique targets

Type:
Protein

AlogP:
-0.27

Polar Surface Area:
153.78

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2371370

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamino)-3-methyl-butyryShow More⌵

Mol. Formula:
C20H38N4O5S

M.W.:
446.61

2 activity values

2 unique targets

Type:
Protein

AlogP:
0.53

Polar Surface Area:
150.62

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2371368

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-butyrylamShow More⌵

Mol. Formula:
C20H40N4O4S

M.W.:
432.63

2 activity values

2 unique targets

Type:
Protein

AlogP:
1.00

Polar Surface Area:
133.55

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2371366

Name:
(S)-2-{(S)-2-[(S)-2-(2-Amino-3-mercapto-propionylamino)-3-methyl-pentanoylaShow More⌵

Mol. Formula:
C23H36N4O5S2

M.W.:
512.70

2 activity values

2 unique targets

Type:
Protein

AlogP:
0.82

Polar Surface Area:
150.62

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2370669

Name:
(S)-2-((R)-2-Amino-3-mercapto-propionylamino)-3-methyl-pentanoic acid pheneShow More⌵

Mol. Formula:
C17H27N3O2S

M.W.:
337.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
84.22

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2092855

Name:
(S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-phenoxy-pyrrolShow More⌵

Mol. Formula:
C25H33F6N3O8S2

M.W.:
681.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
104.89

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2092731

Name:
(S)-2-{[(2R,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent-2-enyl)-4-phenoxy-pyrrolShow More⌵

Mol. Formula:
C25H33F6N3O8S2

M.W.:
681.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
104.89

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2052018

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentylamiShow More⌵

Mol. Formula:
C19H40N4O4S

M.W.:
420.62

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
136.71

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1790758

Name:
(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentylamino]-3-mShow More⌵

Mol. Formula:
C19H38N4O3S

M.W.:
402.61

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.68

Polar Surface Area:
105.48

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1790754

Name:
(S)-2-(2-{[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentyl]-methShow More⌵

Mol. Formula:
C16H34N4O4S

M.W.:
378.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.87

Polar Surface Area:
127.92

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1790753

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentylamiShow More⌵

Mol. Formula:
C18H38N4O4S

M.W.:
406.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.04

Polar Surface Area:
136.71

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1790752

Name:
(S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentylamiShow More⌵

Mol. Formula:
C22H38N4O4S

M.W.:
454.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.40

Polar Surface Area:
136.71

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1788122

Name:
N-{4-[4-(5-Chloro-thiophene-2-carbonyl)-piperazin-1-yl]-phenyl}-N-[3-(4-cyaShow More⌵

Mol. Formula:
C28H31FN4O

M.W.:
464.61

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
42.32

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS