Type:
UnknownAlogP:
5.13Polar Surface Area:
39.44HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
UnknownAlogP:
5.13Polar Surface Area:
50.80HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4589316Name:
3,5-bis(o-tolylmethylene)-1-(4-phenylthiazol-2-yl)piperidin-4-oneMol. Formula:
C30H26N2OSM.W.:
462.62Type:
UnknownAlogP:
6.98Polar Surface Area:
33.20HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
UnknownAlogP:
3.72Polar Surface Area:
40.80HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA4585661Name:
7-methoxy-4-[2-(4-methoxyphenyl)vinyl]benzo[h]chromen-2-oneMol. Formula:
C23H18O4M.W.:
358.39Type:
UnknownAlogP:
5.13Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA4584041
Name:
3,5-bis[(4-methoxyphenyl)methylene]-1-(4-phenylthiazol-2-yl)piperidin-4-oneMol. Formula:
C30H26N2O3SM.W.:
494.62Type:
UnknownAlogP:
6.38Polar Surface Area:
51.66HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
7.36Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
6.10Polar Surface Area:
92.35HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
5.03Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
2.71Polar Surface Area:
123.04HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
6.26Polar Surface Area:
100.16HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
UnknownAlogP:
5.65Polar Surface Area:
34.03HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4574325
Name:
7-methyl-4-[2-(2,3,4,5-tetramethoxyphenyl)vinyl]benzo[h]chromen-2-oneMol. Formula:
C26H24O6M.W.:
432.47Type:
UnknownAlogP:
5.46Polar Surface Area:
67.13HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
5.77Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4568532
Name:
3,5-bis(o-tolylmethylene)-4-oxo-N-phenyl-piperidine-1-carbothioamideMol. Formula:
C28H26N2OSM.W.:
438.60Type:
UnknownAlogP:
6.05Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
2.41Polar Surface Area:
132.27HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
UnknownAlogP:
5.02Polar Surface Area:
73.35HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4558481
Name:
4-[2-(2,4-dimethoxyphenyl)vinyl]benzo[h]chromen-2-oneMol. Formula:
C23H18O4M.W.:
358.39Type:
UnknownAlogP:
5.13Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4557390
Name:
7-methoxy-4-[2-(4-nitrophenyl)vinyl]benzo[h]chromen-2-oneMol. Formula:
C22H15NO5M.W.:
373.36Type:
UnknownAlogP:
5.03Polar Surface Area:
82.58HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
UnknownAlogP:
4.55Polar Surface Area:
115.90HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
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