Type:
---AlogP:
3.61Polar Surface Area:
94.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
103.55HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
117.63HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA329972Name:
1-Eth-(Z)-ylidene-3-oxo-indan-2-carboxylic acid amideMol. Formula:
C12H11NO2M.W.:
201.22Type:
Small moleculeAlogP:
1.39Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA99724Name:
3-(4-Chloro-phenyl)-1-oxo-1H-indene-2-carboxylic acid amideMol. Formula:
C16H10ClNO2M.W.:
283.71Type:
Small moleculeAlogP:
2.82Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS- ALA99049
Name:
7-Methyl-1-oxo-3-phenyl-1H-indene-2-carboxylic acid methyl esterMol. Formula:
C18H14O3M.W.:
278.31Type:
Small moleculeAlogP:
3.17Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA98447
Name:
7-Oxo-5-phenyl-7H-[2]pyrindine-6-carboxylic acid methyl esterMol. Formula:
C16H11NO3M.W.:
265.27Type:
Small moleculeAlogP:
2.25Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.77Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA316508
Name:
2-Oxo-2,6,7,8-tetrahydro-acenaphthylene-1-carboxylic acid amideMol. Formula:
C13H11NO2M.W.:
213.24Type:
Small moleculeAlogP:
1.46Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.12Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA99352
Name:
1-Oxo-3-phenyl-1H-indene-2-carboxylic acid methylamideMol. Formula:
C17H13NO2M.W.:
263.30Type:
Small moleculeAlogP:
2.43Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.85DETAILS - ALA317989
Name:
1-Oxo-3-phenyl-1H-indene-2-carboxylic acid dimethylamideMol. Formula:
C18H15NO2M.W.:
277.32Type:
Small moleculeAlogP:
2.77Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA99113
Name:
1-Oxo-3-phenyl-1H-indene-2-carboxylic acid (2-diethylamino-ethyl)-amideMol. Formula:
C22H24N2O2M.W.:
348.45Type:
Small moleculeAlogP:
3.14Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA316567
Name:
4-Methoxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid methyl esterMol. Formula:
C18H14O4M.W.:
294.31Type:
Small moleculeAlogP:
2.87Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA101457
Name:
3-(4-Methoxy-phenyl)-1-oxo-1H-indene-2-carboxylic acid amideMol. Formula:
C17H13NO3M.W.:
279.30Type:
Small moleculeAlogP:
2.18Polar Surface Area:
69.39HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA319570
Name:
1-Hydroxy-3-phenyl-1H-indene-2-carboxylic acid amideMol. Formula:
C16H13NO2M.W.:
251.29Type:
Small moleculeAlogP:
2.02Polar Surface Area:
63.32HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
60.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
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