Type:
Small moleculeAlogP:
4.66Polar Surface Area:
62.30HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
Small moleculeAlogP:
1.57Polar Surface Area:
251.14HBA:
18HBD:
5#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA3138423Name:
(3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)hydroxy]spirostan-11-oneMol. Formula:
C39H62O12M.W.:
722.91Type:
Small moleculeAlogP:
2.68Polar Surface Area:
173.60HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA3138344Name:
(3beta,5alpha,25R)-3-[(beta-D-maltotriosyl)oxy]spirostan-11-oneMol. Formula:
C51H84O20M.W.:
1017.21Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
0.89Polar Surface Area:
204.83HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA3138212
Name:
(3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)chloro]spirostan-11-oneMol. Formula:
C39H60I2O12M.W.:
974.71Type:
Small moleculeAlogP:
3.51Polar Surface Area:
173.60HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
9.08Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
9.15Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3137858
Name:
(3beta,5alpha,25R)-3-[(beta-D-Glucosyl)oxy]spirostan-11-oneMol. Formula:
C33H52O9M.W.:
592.77Type:
Small moleculeAlogP:
2.80Polar Surface Area:
134.91HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA3137849
Name:
(3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)ethoxymethoxy]spirostan-11-oneMol. Formula:
C39H60F2O12M.W.:
758.89Type:
Small moleculeAlogP:
2.58Polar Surface Area:
173.60HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA3137847
Name:
(3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)fluoro]spirostan-11-oneMol. Formula:
C39H60Cl2O12M.W.:
791.80Type:
Small moleculeAlogP:
3.11Polar Surface Area:
173.60HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
3.19Polar Surface Area:
232.16HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA3085194
Name:
(3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)iodo]spirostan-11-oneMol. Formula:
C53H72N2O16M.W.:
993.16Type:
Small moleculeAlogP:
5.13Polar Surface Area:
250.26HBA:
16HBD:
7#RO5 Violations:
4#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
3.16Polar Surface Area:
232.16HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
1.44Polar Surface Area:
196.99HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
0.43Polar Surface Area:
178.53HBA:
11HBD:
7#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS
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