Type:
---AlogP:
-1.58Polar Surface Area:
340.24HBA:
19HBD:
8#RO5 Violations:
3#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.04DETAILS
Type:
---AlogP:
-5.31Polar Surface Area:
250.34HBA:
14HBD:
7#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
UnknownAlogP:
-4.18Polar Surface Area:
253.76HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
UnknownAlogP:
4.10Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
UnknownAlogP:
4.23Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS- ALA4176590
Name:
1-[2-(Diethylamino)ethyl]-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C24H30N2O2M.W.:
378.52Type:
Small moleculeAlogP:
4.80Polar Surface Area:
34.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4176258
Name:
2-Isonicotinoyl-N-propylhydrazine-1-carboxamideMol. Formula:
C10H14N4O2M.W.:
222.25Type:
Small moleculeAlogP:
0.44Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4175514
Name:
1-[3-(Dimethylamino)propyl]-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C23H28N2O2M.W.:
364.49Type:
Small moleculeAlogP:
4.41Polar Surface Area:
34.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
63.84HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4173223
Name:
1-(2-Piperidin-1-ylethyl)-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C25H30N2O2M.W.:
390.53Type:
Small moleculeAlogP:
4.94Polar Surface Area:
34.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4172075
Name:
1-(2-Piperazin-1-ylethyl)-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C24H29N3O2M.W.:
391.52Type:
Small moleculeAlogP:
3.36Polar Surface Area:
46.50HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
31.23HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
-0.34Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.56Polar Surface Area:
63.84HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4165311
Name:
1-[2-(4-Benzylpiperazin-1-yl)ethyl]-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C31H35N3O2M.W.:
481.64Type:
Small moleculeAlogP:
5.28Polar Surface Area:
37.71HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4165123
Name:
N-propyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amineMol. Formula:
C10H12N4OM.W.:
204.23Type:
Small moleculeAlogP:
1.95Polar Surface Area:
63.84HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4164902
Name:
1-(2-Azepan-1-ylethyl)-3-(4-propoxyphenyl)quinolin-4(1H)-oneMol. Formula:
C26H32N2O2M.W.:
404.55Type:
Small moleculeAlogP:
5.33Polar Surface Area:
34.47HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
0.05Polar Surface Area:
83.12HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS
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