Type:
Small moleculeAlogP:
1.25Polar Surface Area:
76.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA2289470Name:
sodium methyl furan-2-yl(hydroxy)methylphosphonateMol. Formula:
C6H8NaO5PM.W.:
214.09Type:
Small moleculeAlogP:
1.10Polar Surface Area:
79.90HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
1.76Polar Surface Area:
68.90HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
Small moleculeAlogP:
1.02Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
0.81Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
105.45HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2288403
Name:
(Z)-2-[(3,4-Dimethoxyphenyl)methylene]-4,6-dihydroxy-3(2H)-benzofuranoneMol. Formula:
C17H14O6M.W.:
314.29Type:
Small moleculeAlogP:
2.73Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
5.21Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
7.34Polar Surface Area:
106.59HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
5.69Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2288394
Name:
(Z)-2-[(4-Methoxyphenyl)methylene]-4,6-diethoxy-3(2H)-benzofuranoneMol. Formula:
C20H20O5M.W.:
340.38Type:
Small moleculeAlogP:
4.11Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2288229
Name:
(Z)-2-[(2,3-Dimethoxyphenyl)methylene]-4,6-dimethoxy-3(2H)-benzofuranoneMol. Formula:
C19H18O6M.W.:
342.35Type:
Small moleculeAlogP:
3.34Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
94.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2286515
Name:
3-(1-hydroxyethylidene)-5-(4-nitrobenzyl)pyrrolidine-2,4-dioneMol. Formula:
C13H12N2O5M.W.:
276.25Type:
Small moleculeAlogP:
1.04Polar Surface Area:
109.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA2286514
Name:
5-(2-chlorobenzyl)-3-(1-hydroxyethylidene)pyrrolidine-2,4-dioneMol. Formula:
C13H12ClNO3M.W.:
265.70Type:
Small moleculeAlogP:
1.78Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.49DETAILS
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