Compounds

ALA5175962

Name:
(5S)-5-(((2S,3R)-2-(((R)-2-amino-3-mercaptopropyl)amino)-3-methylpentyl)oxyShow More⌵

Mol. Formula:
C24H40N2O6S2

M.W.:
516.73

1 activity values

1 unique targets

Type:
---

AlogP:
1.97

Polar Surface Area:
135.79

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1221573

Name:
geranylgeranylphosphate

Mol. Formula:
C20H45N3O7P2

M.W.:
501.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
113.29

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA593819

Name:
(4R,7R,10S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-10-(hydroxymShow More⌵

Mol. Formula:
C29H42N6O9S3

M.W.:
714.89

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.89

Polar Surface Area:
223.34

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA593852

Name:
(4R,7S,10S,13S)-10-(3-amino-3-oxopropyl)-1-(5-(dimethylamino)naphthalene-1-Show More⌵

Mol. Formula:
C31H45N7O10S2

M.W.:
739.87

2 activity values

1 unique targets

Type:
Protein

AlogP:
-1.56

Polar Surface Area:
266.43

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA593812

Name:
(4R,7S,10S,13S)-10-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-1-(5-(dimetShow More⌵

Mol. Formula:
C32H46N8O10S2

M.W.:
766.90

2 activity values

1 unique targets

Type:
Protein

AlogP:
-1.68

Polar Surface Area:
289.29

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA593912

Name:
(4R,7S,10S,13S)-10-(4-aminobutyl)-7-(2-carboxyethyl)-1-(5-(dimethylamino)naShow More⌵

Mol. Formula:
C34H51N7O10S2

M.W.:
781.96

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.18

Polar Surface Area:
266.43

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA594997

Name:
(4R,7S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-7-isopropyl-4-(mShow More⌵

Mol. Formula:
C30H44N6O8S2

M.W.:
680.85

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.47

Polar Surface Area:
203.11

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA608386

Name:
(4R,7S,10S,13S)-10-(2-carboxyethyl)-1-(5-(dimethylamino)naphthalene-1-sulfoShow More⌵

Mol. Formula:
C33H48N6O10S3

M.W.:
784.98

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.80

Polar Surface Area:
240.41

HBA:
11

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA593675

Name:
(4R,10R,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-4,10-bis(mercapShow More⌵

Mol. Formula:
C28H40N6O8S3

M.W.:
684.86

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.25

Polar Surface Area:
203.11

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA608385

Name:
(4R,7S,10S,13S)-7-((1H-imidazol-5-yl)methyl)-1-(5-(dimethylamino)naphthalenShow More⌵

Mol. Formula:
C32H44N8O8S2

M.W.:
732.89

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.17

Polar Surface Area:
231.79

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA593601

Name:
(4R,7S,10S,13S)-10-benzyl-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-7-Show More⌵

Mol. Formula:
C35H46N6O9S2

M.W.:
758.92

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.42

Polar Surface Area:
223.34

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA593358

Name:
(4R,7S,10S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-10-(4-hydroxShow More⌵

Mol. Formula:
C35H46N6O9S2

M.W.:
758.92

2 activity values

1 unique targets

Type:
Protein

AlogP:
1.15

Polar Surface Area:
223.34

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA593086

Name:
(4R,7S,10S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-10-((R)-1-hyShow More⌵

Mol. Formula:
C30H44N6O10S2

M.W.:
712.85

2 activity values

1 unique targets

Type:
Protein

AlogP:
-1.44

Polar Surface Area:
243.57

HBA:
11

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA593580

Name:
(4R,7S,10S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-7-((R)-1-hydShow More⌵

Mol. Formula:
C30H44N6O9S2

M.W.:
696.85

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.42

Polar Surface Area:
223.34

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA593534

Name:
(4R,7S,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-7-isobutyl-4-(meShow More⌵

Mol. Formula:
C31H46N6O8S2

M.W.:
694.88

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.86

Polar Surface Area:
203.11

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA594804

Name:
(4R,10S,13S)-10-(3-amino-3-oxopropyl)-1-(5-(dimethylamino)naphthalene-1-sulShow More⌵

Mol. Formula:
C30H43N7O9S2

M.W.:
709.85

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.92

Polar Surface Area:
246.20

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA593674

Name:
(4R,13S)-1-(5-(dimethylamino)naphthalene-1-sulfonamido)-4-(mercaptomethyl)-Show More⌵

Mol. Formula:
C27H38N6O8S2

M.W.:
638.77

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.55

Polar Surface Area:
203.11

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA593342

Name:
(S)-2-((S)-1-((S)-4-amino-2-((R)-2-(2-(5-(dimethylamino)naphthalene-1-sulfoShow More⌵

Mol. Formula:
C32H45N7O9S2

M.W.:
735.89

2 activity values

1 unique targets

Type:
Protein

AlogP:
-0.43

Polar Surface Area:
237.41

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA593566

Name:
(S)-2-((S)-1-((S)-2-((R)-2-(2-(5-(dimethylamino)naphthalene-1-sulfonamido)aShow More⌵

Mol. Formula:
C34H46N8O8S2

M.W.:
758.92

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.66

Polar Surface Area:
223.00

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA593334

Name:
(4R,7S,10S,13S)-10-(3-amino-3-oxopropyl)-1-(5-(dimethylamino)naphthalene-1-Show More⌵

Mol. Formula:
C34H51N7O9S2

M.W.:
765.96

2 activity values

1 unique targets

Type:
Protein

AlogP:
0.50

Polar Surface Area:
246.20

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.08

DETAILS