Compounds

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ALA5207323
Name:
methyl 17-((2R,3R,4S,5S,6R)-6-(acetoxymethyl)-3-((2S,3R,4S,5S,6R)-6-(acetoxShow More⌵
Mol. Formula:
C35H60O15
M.W.:
720.85
1 activity values
1 unique targets
Type:
---
AlogP:
1.96
Polar Surface Area:
216.97
HBA:
15
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA5199725
Name:
methyl 17-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5SShow More⌵
Mol. Formula:
C31H56O13
M.W.:
636.78
1 activity values
1 unique targets
Type:
---
AlogP:
0.82
Polar Surface Area:
204.83
HBA:
13
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5183533
Name:
ethyl 17-((2R,3R,4S,5S,6R)-6-(acetoxymethyl)-4,5-dihydroxy-3-((2S,3R,4S,5S,Show More⌵
Mol. Formula:
C34H60O14
M.W.:
692.84
1 activity values
1 unique targets
Type:
---
AlogP:
1.78
Polar Surface Area:
210.90
HBA:
14
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA210937
Name:
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3Show More⌵
Mol. Formula:
C35H52O7
M.W.:
584.79
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
6.54
Polar Surface Area:
121.13
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA379283
Name:
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3Show More⌵
Mol. Formula:
C33H48O7
M.W.:
556.74
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.90
Polar Surface Area:
121.13
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA210988
Name:
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-((2S,3S)-3,4-dimethyl-6-oxo-3,6-dihShow More⌵
Mol. Formula:
C34H50O7
M.W.:
570.77
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
121.13
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA207218
Name:
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-((S)-3,3-dimethyl-6-oxo-3,6-dihydroShow More⌵
Mol. Formula:
C34H50O7
M.W.:
570.77
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
121.13
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA207141
Name:
Kazusamycin A
Mol. Formula:
C33H48O7
M.W.:
556.74
5 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.76
Polar Surface Area:
121.13
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE