ALA3354673Name:
N-(1H-indol-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamideMol. Formula:
C18H13N3O2M.W.:
303.32Type:
Small moleculeAlogP:
3.26Polar Surface Area:
77.75HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA2440295Name:
(Z)-2-(4-chlorobenzoyl)-3-(4-ethoxyphenylamino)-N-propylacrylamideMol. Formula:
C21H23ClN2O3M.W.:
386.88Type:
Small moleculeAlogP:
4.44Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA2262422Name:
Propanoic acid 3,3-diethyl-4,5-dihydro-2-oxofuran-5-yl methyl esterMol. Formula:
C12H20O4M.W.:
228.29Type:
Small moleculeAlogP:
2.06Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA2262420Name:
Benzoic acid 3,3-diethyl-4,5-dihydro-2-oxofuran-5-ylmethyl esterMol. Formula:
C16H20O4M.W.:
276.33Type:
Small moleculeAlogP:
2.97Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA2262414Name:
Benzoic acid 3,3-diethyl-4,5-dihydro-2-oxofuran-5ylethyl esterMol. Formula:
C17H22O4M.W.:
290.36Type:
Small moleculeAlogP:
3.36Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA2262411
Name:
N-(3,3-diethvl-4,5-dihydro-2-oxofuran-5-yl)ethylpropionamideMol. Formula:
C13H23NO3M.W.:
241.33Type:
Small moleculeAlogP:
2.02Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2262409
Name:
N-(3,3-diethyl-4,5-dihydro-2-oxofuran-5-yl)ethyl benzamideMol. Formula:
C17H23NO3M.W.:
289.38Type:
Small moleculeAlogP:
2.93Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2262222
Name:
3,3-diethyl-5-(hydroxymethyl)dihydrofuran-2(3H)-oneMol. Formula:
C9H16O3M.W.:
172.22Type:
Small moleculeAlogP:
1.10Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.65DETAILS - ALA509338
Name:
trans-3-Amino-1-hydroxycyclobutyl(methyl)-phosphinic acidMol. Formula:
C5H12NO3PM.W.:
165.13Type:
Small moleculeAlogP:
-0.30Polar Surface Area:
83.55HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS
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