ALA3706719Name:
(+/-)-13-(3-Trifluoromethylbenzyl)-tetrahydrocoptisineMol. Formula:
C27H20F3NO4M.W.:
479.45Type:
Small moleculeAlogP:
5.65Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
49.39HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
Small moleculeAlogP:
4.77Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
63.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA3614052
Name:
8-(1-Isobutyrylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C26H24ClNO5M.W.:
465.93Type:
Small moleculeAlogP:
4.35Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3614051
Name:
8-(1-Valerylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C27H26ClNO5M.W.:
479.96Type:
Small moleculeAlogP:
4.89Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3614050
Name:
8-(1-Butyrylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C26H24ClNO5M.W.:
465.93Type:
Small moleculeAlogP:
4.50Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3614048
Name:
8-(1-Acetylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C24H20ClNO5M.W.:
437.88Type:
Small moleculeAlogP:
3.72Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
57.23HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
40.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3612191
Name:
8-(1-Cyclopropylformylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C26H22ClNO5M.W.:
463.92Type:
Small moleculeAlogP:
4.11Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
1.58Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
58.92HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
40.80HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.08Polar Surface Area:
63.95HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3612178
Name:
8-(1-p-Isobutylbenzoylethenyl)-13-methylcoptisine ChlorideMol. Formula:
C33H30ClNO5M.W.:
556.06Type:
Small moleculeAlogP:
6.21Polar Surface Area:
57.87HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS
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