Type:
---AlogP:
6.33Polar Surface Area:
104.62HBA:
12HBD:
---#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
---AlogP:
4.58Polar Surface Area:
59.97HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
---AlogP:
-1.42Polar Surface Area:
191.87HBA:
6HBD:
7#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
---AlogP:
4.50Polar Surface Area:
281.88HBA:
10HBD:
10#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.02DETAILS
ALA5290934Name:
4-bromo-1-oxo-N-(3-phenoxyphenyl)-1,2-dihydroisoquinoline-3-carboxamideMol. Formula:
C22H15BrN2O3M.W.:
435.28Type:
---AlogP:
5.34Polar Surface Area:
71.19HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS-
Type:
---AlogP:
1.39Polar Surface Area:
63.08HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
6.11Polar Surface Area:
112.66HBA:
8HBD:
3#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
-3.90Polar Surface Area:
288.54HBA:
9HBD:
11#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
1.70Polar Surface Area:
210.47HBA:
8HBD:
9#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
UnknownAlogP:
0.64Polar Surface Area:
85.75HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
-3.02Polar Surface Area:
386.33HBA:
12HBD:
14#RO5 Violations:
3#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.02DETAILS -
Type:
UnknownAlogP:
-1.42Polar Surface Area:
191.87HBA:
6HBD:
7#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
201.24HBA:
6HBD:
8#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
6.13Polar Surface Area:
83.39HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.95Polar Surface Area:
61.66HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
6.12Polar Surface Area:
101.80HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA3344316
Name:
7-((3-(benzyloxy)phenyl)(thiazol-2-ylamino)methyl)quinolin-8-olMol. Formula:
C26H21N3O2SM.W.:
439.54Type:
Small moleculeAlogP:
6.18Polar Surface Area:
67.27HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
-1.54Polar Surface Area:
238.54HBA:
7HBD:
9#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
-0.64Polar Surface Area:
238.54HBA:
7HBD:
9#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.06DETAILS
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