Type:
---AlogP:
3.78Polar Surface Area:
77.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
3.55Polar Surface Area:
74.23HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4795598Name:
5-hydroxy-2-[3-(4-methoxyphenyl)propyl]chromen-4-oneMol. Formula:
C19H18O4M.W.:
310.35Type:
UnknownAlogP:
3.68Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA4790230Name:
2-[3-(3-chlorophenyl)propyl]-5-hydroxy-chromen-4-oneMol. Formula:
C18H15ClO3M.W.:
314.77Type:
UnknownAlogP:
4.33Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
UnknownAlogP:
0.95Polar Surface Area:
37.39HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA4783824
Name:
2-[3-(3-fluorophenyl)propyl]-5-hydroxy-chromen-4-oneMol. Formula:
C18H15FO3M.W.:
298.31Type:
UnknownAlogP:
3.81Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4780527
Name:
5-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]chromen-4-oneMol. Formula:
C19H15F3O3M.W.:
348.32Type:
UnknownAlogP:
4.69Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4778570
Name:
(R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridineMol. Formula:
C18H21N3M.W.:
279.39Type:
UnknownAlogP:
2.40Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.91DETAILS - ALA4777852
Name:
(R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridineMol. Formula:
C15H23N3M.W.:
245.37Type:
UnknownAlogP:
2.00Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.86DETAILS - ALA4765074
Name:
(R)-4-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridineMol. Formula:
C14H21N3M.W.:
231.34Type:
UnknownAlogP:
1.76Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
3.98Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4755344
Name:
5-hydroxy-2-[3-(3-methoxyphenyl)propyl]chromen-4-oneMol. Formula:
C19H18O4M.W.:
310.35Type:
UnknownAlogP:
3.68Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4747291
Name:
(R)-4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridineMol. Formula:
C12H17N3M.W.:
203.29Type:
UnknownAlogP:
1.11Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA4746138
Name:
2-[3-(4-chlorophenyl)propyl]-5-hydroxy-chromen-4-oneMol. Formula:
C18H15ClO3M.W.:
314.77Type:
UnknownAlogP:
4.33Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4743625
Name:
5-hydroxy-2-[3-[4-(trifluoromethyl)phenyl]propyl]chromen-4-oneMol. Formula:
C19H15F3O3M.W.:
348.32Type:
UnknownAlogP:
4.69Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.98Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
3.53Polar Surface Area:
106.95HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
3.12Polar Surface Area:
103.43HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
0.59Polar Surface Area:
72.88HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
1.79Polar Surface Area:
138.24HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS
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