furan-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C22H17NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high furan-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolNamefuran-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormulaC22H17NO6
SmilesO=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)OCc1ccco1
InChIInChI=1S/C22H17NO6/c24-21(16-5-2-1-3-6-16)23-18(22(25)27-13-17-7-4-10-26-17)11-15-8-9-19-20(12-15)29-14-28-19/h1-12H,13-14H2,(H,23,24)
InChIKQXOCMZBRUDSTFY-UHFFFAOYSA-N
TotalMolweight391.378
Molweight391.378
MonoisotopicMass391.105589
CLogP3.9075
CLogS-5.218
H Acceptors7
H Donors1
TotalSurfaceArea298.16
Relative PSA0.27385
PolarSurfaceArea87
Druglikeness2.2359
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
Symmetricatoms2
Amides1
StereoCon

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