Type:
Small moleculeAlogP:
5.24Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
5.77Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA2287730Name:
4-acryloyl-3-mesityl-1-oxaspiro[4.4]non-3-en-2-oneMol. Formula:
C20H22O3M.W.:
310.39Type:
Small moleculeAlogP:
3.99Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
5.43Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
5.26Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
Small moleculeAlogP:
6.01Polar Surface Area:
55.02HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2228441
Name:
N'-benzoyl-N-tert-butyl-4-methoxybenzohydrazideCas Number:
112226-92-3Mol. Formula:
C19H22N2O3M.W.:
326.40Type:
Small moleculeAlogP:
3.28Polar Surface Area:
58.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2228440
Name:
N'-benzoyl-N-tert-butyl-4-chlorobenzohydrazideCas Number:
112226-54-7Mol. Formula:
C18H19ClN2O2M.W.:
330.81Type:
Small moleculeAlogP:
3.93Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2228438
Name:
N'-benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazideCas Number:
112426-79-6Mol. Formula:
C20H24N2O2M.W.:
324.42Type:
Small moleculeAlogP:
3.89Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2228437
Name:
N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazideCas Number:
112226-77-4Mol. Formula:
C19H22N2O3M.W.:
326.40Type:
Small moleculeAlogP:
3.28Polar Surface Area:
58.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2228436
Name:
N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazideCas Number:
112225-83-9Mol. Formula:
C18H19ClN2O2M.W.:
330.81Type:
Small moleculeAlogP:
3.93Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2228435
Name:
N'-benzoyl-N-tert-butyl-2-chlorobenzohydrazideCas Number:
112226-58-1Mol. Formula:
C18H19ClN2O2M.W.:
330.81Type:
Small moleculeAlogP:
3.93Polar Surface Area:
49.41HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
115.49HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
67.87HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
67.87HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
5.58Polar Surface Area:
115.49HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
6.14Polar Surface Area:
115.49HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
115.49HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
6.20Polar Surface Area:
115.49HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS
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