Type:
---AlogP:
3.80Polar Surface Area:
21.76HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA2282739Name:
4-(2-Hydroxybenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H11NO3M.W.:
277.28Type:
Small moleculeAlogP:
2.62Polar Surface Area:
66.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
75.96HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA2282737Name:
4-(2-Nitrobenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H10N2O4M.W.:
306.28Type:
Small moleculeAlogP:
2.82Polar Surface Area:
89.64HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
64.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
Small moleculeAlogP:
2.94Polar Surface Area:
74.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
49.74HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2282733
Name:
4-(4-Methylbenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C18H13NO2M.W.:
275.31Type:
Small moleculeAlogP:
3.22Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2282732
Name:
4-(3-Bromobenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H10BrNO2M.W.:
340.18Type:
Small moleculeAlogP:
3.67Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2282731
Name:
4-(2-Chlorobenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H10ClNO2M.W.:
295.73Type:
Small moleculeAlogP:
3.57Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2282730
Name:
4-(4-Methoxybenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C18H13NO3M.W.:
291.31Type:
Small moleculeAlogP:
2.92Polar Surface Area:
55.73HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2282729
Name:
4-(4-Hydroxybenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H11NO3M.W.:
277.28Type:
Small moleculeAlogP:
2.62Polar Surface Area:
66.73HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA2282727
Name:
4-(4-Nitrobenzylideneamino)naphthalene-1,2-dioneMol. Formula:
C17H10N2O4M.W.:
306.28Type:
Small moleculeAlogP:
2.82Polar Surface Area:
89.64HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
2.91Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
3.20Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2282723
Name:
4-((3-Phenylallylidene)amino)naphthalene-1,2-dioneMol. Formula:
C19H13NO2M.W.:
287.32Type:
Small moleculeAlogP:
3.58Polar Surface Area:
46.50HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
62.29HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
2.25Polar Surface Area:
74.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
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