Type:
Small moleculeAlogP:
3.12Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA1089010Name:
4-(4-methoxybenzoyloxyimino)-3,5-dimethylcyclohexa-2,5-dienoneMol. Formula:
C16H15NO4M.W.:
285.30Type:
Small moleculeAlogP:
2.68Polar Surface Area:
64.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA1093605Name:
4-(4-methoxybenzoyloxyimino)-2,5-dimethylcyclohexa-2,5-dienoneMol. Formula:
C16H15NO4M.W.:
285.30Type:
Small moleculeAlogP:
2.68Polar Surface Area:
64.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA1092816Name:
4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa-2,5-dienoneMol. Formula:
C16H15NO4M.W.:
285.30Type:
Small moleculeAlogP:
2.68Polar Surface Area:
64.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA1092793Name:
1-(thiazol-2-yl)ethanone O-piperidine-1-carbonyl oximeMol. Formula:
C11H15N3O2SM.W.:
253.33Type:
Small moleculeAlogP:
2.49Polar Surface Area:
54.79HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
Small moleculeAlogP:
1.43Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1092791
Name:
1-(thiazol-2-yl)ethanone O-cyclohexanecarbonyl oximeMol. Formula:
C12H16N2O2SM.W.:
252.34Type:
Small moleculeAlogP:
2.99Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
1.82Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
77.58HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
77.58HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
77.58HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA1092129
Name:
1-(thiazol-2-yl)ethanone O-biphenylcarbonyl oximeMol. Formula:
C18H14N2O2SM.W.:
322.39Type:
Small moleculeAlogP:
4.39Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA1092128
Name:
1-(thiazol-2-yl)ethanone O-2,5-difluorobenzoyl oximeMol. Formula:
C12H8F2N2O2SM.W.:
282.27Type:
Small moleculeAlogP:
3.00Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1092127
Name:
1-(thiazol-2-yl)ethanone O-4-iodobenzoyl oximeMol. Formula:
C12H9IN2O2SM.W.:
372.19Type:
Small moleculeAlogP:
3.33Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA1093717
Name:
1-(thiazol-2-yl)ethanone O-2-fluorobenzoyl oximeMol. Formula:
C12H9FN2O2SM.W.:
264.28Type:
Small moleculeAlogP:
2.86Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1092376
Name:
1-(thiazol-2-yl)ethanone O-4-fluorobenzoyl oximeMol. Formula:
C12H9FN2O2SM.W.:
264.28Type:
Small moleculeAlogP:
2.86Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1092031
Name:
1-(thiazol-2-yl)ethanone O-3-chlorobenzoyl oximeMol. Formula:
C12H9ClN2O2SM.W.:
280.74Type:
Small moleculeAlogP:
3.38Polar Surface Area:
51.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1092115
Name:
4-(cinnamoyloxyimino)-2,6-dimethylcyclohexa-2,5-dienoneMol. Formula:
C17H15NO3M.W.:
281.31Type:
Small moleculeAlogP:
3.07Polar Surface Area:
55.73HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1092114
Name:
1-(thiazol-2-yl)ethanone O-4-methoxybenzoyl oximeMol. Formula:
C13H12N2O3SM.W.:
276.32Type:
Small moleculeAlogP:
2.73Polar Surface Area:
60.78HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
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