Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
DynasoreName:
N'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthohydrazideMol. Formula:
C18H14N2O4M.W.:
322.32Type:
Small moleculeAlogP:
2.72Polar Surface Area:
102.15HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS
ALA1208995Name:
2-naphthoic bis(2-oxooxazolidin-3-yl)phosphinic anhydrideMol. Formula:
C17H15N2O7PM.W.:
390.29Type:
Small moleculeAlogP:
3.01Polar Surface Area:
102.45HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
3.27Polar Surface Area:
72.55HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
52.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA1208932
Name:
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-naphthamideMol. Formula:
C20H17NO3M.W.:
319.36Type:
Small moleculeAlogP:
3.54Polar Surface Area:
47.56HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA1208927
Name:
3-hydroxy-N'-(3-hydroxy-4-methoxybenzylidene)-2-naphthohydrazideMol. Formula:
C19H16N2O4M.W.:
336.35Type:
Small moleculeAlogP:
3.02Polar Surface Area:
91.15HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA1208866
Name:
3-hydroxy-N'-(5-hydroxy-2-nitrobenzylidene)-2-naphthohydrazideMol. Formula:
C18H13N3O5M.W.:
351.32Type:
Small moleculeAlogP:
2.92Polar Surface Area:
125.06HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA1208865
Name:
N'-(3,4-dimethylbenzylidene)-3-hydroxy-2-naphthohydrazideMol. Formula:
C20H18N2O2M.W.:
318.38Type:
Small moleculeAlogP:
3.93Polar Surface Area:
61.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA1208863
Name:
N'-(3,4-dichlorobenzylidene)-2-naphthohydrazideMol. Formula:
C18H12Cl2N2OM.W.:
343.21Type:
Small moleculeAlogP:
4.91Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1208862
Name:
N'-(3,4-dihydroxybenzylidene)-2-naphthohydrazideMol. Formula:
C18H14N2O3M.W.:
306.32Type:
Small moleculeAlogP:
3.01Polar Surface Area:
81.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1208861
Name:
N'-(3,4-dichlorobenzylidene)-3-hydroxy-2-naphthohydrazideMol. Formula:
C18H12Cl2N2O2M.W.:
359.21Type:
Small moleculeAlogP:
4.62Polar Surface Area:
61.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
62.12HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS
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