Compounds

ALA456766

Name:
2-[(5S,8R,11S,14R,17S,20S,22aR)-20-Benzyl-5-((S)-sec-butyl)-8,14-dimethyl-1Show More⌵

Mol. Formula:
C35H52N8O8S

M.W.:
744.92

5 activity values

2 unique targets

Type:
Protein

AlogP:
-1.14

Polar Surface Area:
238.00

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA244293

Name:
(1''S,2''S,7''R,9''R,10''R,11''S,14''R,15''R,16''S)-9''-(acetyloxy)-14''-[(Show More⌵

Mol. Formula:
C34H53NO9

M.W.:
619.80

78 activity values

60 unique targets

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
132.61

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA415665

Name:
(4R)-N-[2-(dimethylamino)ethyl]-4-[(1''S,2''S,7''R,10''R,11''S,14''R,15''R,Show More⌵

Mol. Formula:
C35H60N2O6

M.W.:
604.87

47 activity values

10 unique targets

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
89.49

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA178500

Name:
(S)-2-{(S)-2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C43H51N7O11

M.W.:
841.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.14

Polar Surface Area:
260.31

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA435905

Name:
(S)-2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydroShow More⌵

Mol. Formula:
C46H56N8O12

M.W.:
913.00

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.79

Polar Surface Area:
289.41

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA435730

Name:
(S)-2-{(S)-2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C43H50N8O12

M.W.:
870.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.38

Polar Surface Area:
289.41

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA174862

Name:
(S)-2-({1-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydrShow More⌵

Mol. Formula:
C49H60N8O12

M.W.:
953.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
280.62

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA174368

Name:
(S)-2-{2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydroShow More⌵

Mol. Formula:
C48H60N8O12

M.W.:
941.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
289.41

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA174787

Name:
(S)-2-{(S)-2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C47H58N8O12

M.W.:
927.02

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.03

Polar Surface Area:
289.41

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA177318

Name:
(S)-2-{(S)-2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C41H47N7O11

M.W.:
813.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.50

Polar Surface Area:
260.31

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA368374

Name:
(S)-2-{(S)-2-[2-(3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahShow More⌵

Mol. Formula:
C44H52N8O12

M.W.:
884.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.01

Polar Surface Area:
289.41

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS