ALA5269033Name:
2-butyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-oneMol. Formula:
C21H20N2OM.W.:
316.40Type:
---AlogP:
4.66Polar Surface Area:
33.20HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
---AlogP:
4.67Polar Surface Area:
37.61HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA5275613Name:
N-benzyl-N-methyl-6,7-dihydro-[1]benzoxepino[4,5-c]quinoline-8-carboxamideMol. Formula:
C26H22N2O2M.W.:
394.47Type:
---AlogP:
5.11Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5287853Name:
2-butyl-9-(2-fluorophenyl)-1H-pyrrolo[3,4-b]quinolin-3-oneMol. Formula:
C21H19FN2OM.W.:
334.39Type:
---AlogP:
4.80Polar Surface Area:
33.20HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA5204536Name:
2-(5-methyl-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamideMol. Formula:
C23H26N2O2M.W.:
362.47Type:
---AlogP:
4.97Polar Surface Area:
53.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS-
Type:
---AlogP:
3.20Polar Surface Area:
78.07HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5200308
Name:
N,N-diethyl-2-(5-oxo-2-phenylimidazo[1,2-c]quinazolin-6(5H)-yl)acetamideMol. Formula:
C22H22N4O2M.W.:
374.44Type:
---AlogP:
3.18Polar Surface Area:
59.61HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5183217
Name:
2-(5-oxo-2-phenylimidazo[1,2-c]quinazolin-6(5H)-yl)-N,N-dipropylacetamideMol. Formula:
C24H26N4O2M.W.:
402.50Type:
---AlogP:
3.96Polar Surface Area:
59.61HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
2.58Polar Surface Area:
72.50HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
---AlogP:
4.27Polar Surface Area:
64.68HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
3.49Polar Surface Area:
59.61HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
47.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4097327
Name:
1-(5,7-dimethyl-2-p-tolylpyrazolo[1,5-a]pyrimidin-3-yl)-3-ethylpentan-2-oneMol. Formula:
C22H27N3OM.W.:
349.48Type:
Small moleculeAlogP:
4.87Polar Surface Area:
47.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
47.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
47.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
56.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
59.73HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.11Polar Surface Area:
50.50HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.51Polar Surface Area:
63.39HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.16Polar Surface Area:
50.50HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
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