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ALA5267430 Name:
3-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2]Show More⌵
Mol. Formula:
C34H54N2O9
M.W.:
634.81
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.87
Polar Surface Area:
128.96
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5266942 Name:
(S,E)-2-Acetyl-3,7,9-trihydroxy-8,9b-dimethyl-6-(3-(4-(trifluoromethoxy)pheShow More⌵
Mol. Formula:
C26H19F3O8
M.W.:
516.42
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.72
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5206752 Name:
(S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N-((3R,4S,5S)-3-methoxy-1-Show More⌵
Mol. Formula:
C39H65N5O7
M.W.:
715.98
Type:
---
AlogP:
3.17
Polar Surface Area:
137.59
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5202183 Name:
(S)-N-((3R,4S,5S)-1-((2S,4S)-4-amino-2-((1R,2R)-3-((2,6-difluorophenethyl)aShow More⌵
Mol. Formula:
C39H66F2N6O6
M.W.:
752.99
Type:
---
AlogP:
3.21
Polar Surface Area:
146.54
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5201949 Name:
Mol. Formula:
C46H74N4O3S
M.W.:
763.19
Type:
---
AlogP:
10.00
Polar Surface Area:
90.54
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5194369 Name:
(S)-N-((3R,4S,5S)-1-((2S,4S)-2-((1R,2R)-3-((2,6-difluorophenethyl)amino)-1-Show More⌵
Mol. Formula:
C40H68F2N6O6
M.W.:
767.02
Type:
---
AlogP:
3.47
Polar Surface Area:
132.55
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5186255 Name:
Mol. Formula:
C47H76N4O3S
M.W.:
777.22
Type:
---
AlogP:
10.04
Polar Surface Area:
90.54
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5175102 Name:
(S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N-((3R,4S,5S)-1-((2S,4R)-4Show More⌵
Mol. Formula:
C39H67N5O7
M.W.:
717.99
Type:
---
AlogP:
2.96
Polar Surface Area:
140.75
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5174877 Name:
(S)-N-((3R,4S,5S)-1-((2S,4S)-2-((1R,2R)-3-((2,6-difluorophenethyl)amino)-1-Show More⌵
Mol. Formula:
C39H65F2N5O7
M.W.:
753.97
Type:
---
AlogP:
3.24
Polar Surface Area:
140.75
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5174749 Name:
Mol. Formula:
C48H70N4O4
M.W.:
767.11
Type:
---
AlogP:
9.32
Polar Surface Area:
99.77
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5173034 Name:
Mol. Formula:
C49H72N4O4
M.W.:
781.14
Type:
---
AlogP:
9.37
Polar Surface Area:
99.77
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5171125 Name:
(S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N-((3R,4S,5S)-3-methoxy-1-Show More⌵
Mol. Formula:
C40H69N5O7
M.W.:
732.02
Type:
---
AlogP:
3.62
Polar Surface Area:
129.75
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4878771 Name:
NA
Mol. Formula:
C73H87N17O11S2
M.W.:
1442.74
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4876757 Name:
2,2',2''-((1R,5S,8S,12S,16S,20S,23R,26S,29S,32S,35S,38S,41S)-26,41-dibenzylShow More⌵
Mol. Formula:
C84H104N20O21S2
M.W.:
1794.01
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4875336 Name:
N-(4-(3-fluorobenzyloxy)phenyl)-3-phenylisoxazolo[5,4-d]pyrimidin-4-amine
Mol. Formula:
C24H17FN4O2
M.W.:
412.42
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
73.07
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4874525 Name:
NA
Mol. Formula:
C98H124N24O23S2
M.W.:
2070.35
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4873736 Name:
NA
Mol. Formula:
C92H115N21O19S2
M.W.:
1883.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4872992 Name:
NA
Mol. Formula:
C68H104N18O20S2
M.W.:
1557.82
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4861037 Name:
2,2'-((6S,10R,13S,16S,19S,22S,26R,29S,31aR,36aS)-13,22-dibenzyl-6,29-bis(3-Show More⌵
Mol. Formula:
C74H88N16O14
M.W.:
1425.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4849365 Name:
NA
Mol. Formula:
C92H115N21O19S2
M.W.:
1883.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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