Type:
Small moleculeAlogP:
-1.54Polar Surface Area:
203.14HBA:
11HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA516604Name:
3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dioneMol. Formula:
C11H16N4O3M.W.:
252.27Type:
Small moleculeAlogP:
0.09Polar Surface Area:
81.91HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
47.86HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
86.50HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.26DETAILS
ALA199878Name:
N1-[3,3-dimethyl-4(4-methylaminophenyl)-3,4-dihydroquinolin-2-yl]spermidineMol. Formula:
C25H37N5M.W.:
407.61Type:
Small moleculeAlogP:
4.24Polar Surface Area:
74.47HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
62.44HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA199956
Name:
N-[3,3-dimethyl-4(4-methylaminophenyl)-3,4-dihydroquinolin-2-yl]putrescineMol. Formula:
C22H30N4M.W.:
350.51Type:
Small moleculeAlogP:
4.26Polar Surface Area:
62.44HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA371434
Name:
N1-(3,3-dimethyl-4-methylphenylamino-3,4-dihydroquinolin-2-yl)spermineMol. Formula:
C28H44N6M.W.:
464.70Type:
Small moleculeAlogP:
4.22Polar Surface Area:
77.71HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA433988
Name:
N-(3,3-dimethyl-4-methylphenylamino-3,4-dihydroquinolin-2-yl)putrescineMol. Formula:
C22H30N4M.W.:
350.51Type:
Small moleculeAlogP:
4.26Polar Surface Area:
53.65HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
74.47HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.97Polar Surface Area:
62.44HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
50.41HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
1.63Polar Surface Area:
44.62HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA202832
Name:
N1-[3,3-dimethyl-4(4-methylaminophenyl)-3,4-dihydroquinolin-2-yl]spermineMol. Formula:
C28H44N6M.W.:
464.70Type:
Small moleculeAlogP:
4.22Polar Surface Area:
86.50HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
4.73Polar Surface Area:
74.47HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
47.86HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.71Polar Surface Area:
77.71HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA353248
Name:
2-(2-Propoxy-phenyl)-9-propyl-1,9-dihydro-purin-6-oneMol. Formula:
C17H20N4O2M.W.:
312.37Type:
Small moleculeAlogP:
2.99Polar Surface Area:
72.80HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.07Polar Surface Area:
112.90HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
1.68Polar Surface Area:
112.90HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS
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