Compounds

ALA2425462

Name:
Ethyl N''-[3-(N'-acetylhydrazono)-1-cyano-2,3-seco-2-norlup-20(29)-ene-28-oShow More⌵

Mol. Formula:
C37H58N4O4

M.W.:
622.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.96

Polar Surface Area:
120.65

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2425458

Name:
(3S,4aR,6aR,7S,8R,10aR,10bS,12aS)-methyl 7-(cyanomethyl)-8-(1-(2,2-diacetylShow More⌵

Mol. Formula:
C35H51N3O5

M.W.:
593.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.64

Polar Surface Area:
116.90

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2425449

Name:
N''-[3-(N'-Acetylhydrazono)-1-cyano-2,3-seco-2-norlup-20(29)-ene-28-oyl]-2-Show More⌵

Mol. Formula:
C35H56N4O2

M.W.:
564.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.41

Polar Surface Area:
94.35

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA501302

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2Show More⌵

Mol. Formula:
C42H66O15

M.W.:
810.98

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
253.13

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA443103

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2Show More⌵

Mol. Formula:
C42H66O15

M.W.:
810.98

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
253.13

HBA:
14

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA508407

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2Show More⌵

Mol. Formula:
C36H56O10

M.W.:
648.83

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
173.98

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA506296

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-(((Show More⌵

Mol. Formula:
C42H66O14

M.W.:
794.98

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
232.90

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA490450

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-(((Show More⌵

Mol. Formula:
C42H66O14

M.W.:
794.98

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
232.90

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA443179

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-((2R,3R,4S,5S,6R)-3,5-dihydroShow More⌵

Mol. Formula:
C42H66O14

M.W.:
794.98

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
232.90

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA448499

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-((2R,3R,4S,5S,6R)-3,5-dihydroShow More⌵

Mol. Formula:
C48H76O19

M.W.:
957.12

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
312.05

HBA:
18

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA493933

Name:
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-((2R,3R,4S,5S,6R)-3,5-dihydroShow More⌵

Mol. Formula:
C48H76O19

M.W.:
957.12

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.09

Polar Surface Area:
312.05

HBA:
18

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS