Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
1.11Polar Surface Area:
64.97HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
0.43Polar Surface Area:
85.20HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.91Polar Surface Area:
116.36HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
2.61Polar Surface Area:
128.72HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
1.84Polar Surface Area:
128.83HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA3736392
Name:
6-(6-Fluoro-1H-indol-2-yl)-7-hydroxy-4,8-dimethyl-2Hchromen-2-oneMol. Formula:
C19H14FNO3M.W.:
323.32Type:
Small moleculeAlogP:
4.40Polar Surface Area:
66.23HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3409063
Name:
(Z)-3-(Benzofuran-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C20H17NO4M.W.:
335.36Type:
Small moleculeAlogP:
4.52Polar Surface Area:
64.62HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3409062
Name:
(Z)-3-(5-Methoxy-1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C21H20N2O4M.W.:
364.40Type:
Small moleculeAlogP:
4.27Polar Surface Area:
76.50HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3409061
Name:
(Z)-2-(3,5-Dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrileMol. Formula:
C19H16N2O2M.W.:
304.35Type:
Small moleculeAlogP:
4.25Polar Surface Area:
58.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3409060
Name:
(Z)-2-(3,4-Dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrileMol. Formula:
C19H16N2O2M.W.:
304.35Type:
Small moleculeAlogP:
4.25Polar Surface Area:
58.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3409059
Name:
(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrileMol. Formula:
C20H18N2O3M.W.:
334.38Type:
Small moleculeAlogP:
4.26Polar Surface Area:
67.27HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA3409058
Name:
(Z)-3-(Benzo[d]thiazol-2-yl)-2-(3,5-dimethoxyphenyl)-acrylonitrileMol. Formula:
C18H14N2O2SM.W.:
322.39Type:
Small moleculeAlogP:
4.38Polar Surface Area:
55.14HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
10.03Polar Surface Area:
0.00HBA:
1HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS
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