Compounds

Select all

ALA1808831
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-6'-hydroxy-6,7'-dimethoxy-7,21,30-trimeShow More⌵
Mol. Formula:
C52H51N5O13S
M.W.:
986.07
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
6.71
Polar Surface Area:
212.70
HBA:
17
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA1808830
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-tShow More⌵
Mol. Formula:
C49H47N5O13S
M.W.:
946.00
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
223.70
HBA:
17
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1808829
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-tShow More⌵
Mol. Formula:
C49H48N4O11S
M.W.:
901.01
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.94
Polar Surface Area:
180.56
HBA:
15
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA1808828
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-6,7'-dimethoxy-7,21,30-trimethyl-2'-[(2Show More⌵
Mol. Formula:
C55H55N5O13S
M.W.:
1026.13
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1808827
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-6,7'-dimethoxy-7,21,30-trimethyl-27-oxoShow More⌵
Mol. Formula:
C55H56N4O11S
M.W.:
981.14
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
7.66
Polar Surface Area:
158.56
HBA:
15
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA1808826
Name:
(1R,2R,3R,11S,12R,14S,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-tShow More⌵
Mol. Formula:
C50H47N5O11S
M.W.:
926.02
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
6.09
Polar Surface Area:
193.45
HBA:
16
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA461812
Name:
rac-tert-butyl 4-(hydroxy(1-methyl-1H-imidazol-5-yl)(5-nitro-7-phenylbenzofShow More⌵
Mol. Formula:
C30H27N3O6
M.W.:
525.56
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.98
Polar Surface Area:
120.63
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE