Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA5199852Name:
3-(bromomethyl)-5-chloro-6-methoxyquinoxalin-2(1H)-oneMol. Formula:
C10H8BrClN2O2M.W.:
303.54Type:
---AlogP:
2.48Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
---AlogP:
1.21Polar Surface Area:
91.82HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA5192258
Name:
3-(bromomethyl)-5,6-dichloroquinoxalin-2(1H)-oneMol. Formula:
C9H5BrCl2N2OM.W.:
307.96Type:
---AlogP:
3.12Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5186983
Name:
1beta-Acetoxy-3beta-chloro-5alpha,6alpha-dihydroxycrotocascarin LMol. Formula:
C22H27ClO7M.W.:
438.90Type:
---AlogP:
1.63Polar Surface Area:
105.59HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
2.63Polar Surface Area:
130.36HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4872676
Name:
20-deoxyphorbol-5beta-hydroxy-12-tiglate-13-phenylacetateMol. Formula:
C32H38O8M.W.:
550.65Type:
UnknownAlogP:
3.31Polar Surface Area:
130.36HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4847437
Name:
20-deoxyphorbol-5beta-hydroxy-12-tiglate-13-isobutyrateMol. Formula:
C29H40O8M.W.:
516.63Type:
UnknownAlogP:
2.65Polar Surface Area:
130.36HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4845950
Name:
4-deoxy-4beta-phorbol-12-tiglate-13-phenylacetateMol. Formula:
C32H38O7M.W.:
534.65Type:
UnknownAlogP:
4.20Polar Surface Area:
110.13HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
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