furan-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate

Formula:C21H17NO5 Mutagenic:high Tumorigenic:none Reproductive Effective:none furan-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate is a drug-like molecule.

MolNamefuran-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
MolecularFormulaC21H17NO5
SmilesO=C(/C=C/c1ccccc1)N/C(/C(OCc1ccco1)=O)=C\c1ccco1
InChIInChI=1S/C21H17NO5/c23-20(11-10-16-6-2-1-3-7-16)22-19(14-17-8-4-12-25-17)21(24)27-15-18-9-5-13-26-18/h1-14H,15H2,(H,22,23)
InChIKNROQSEKVTCHEGH-UHFFFAOYSA-N
TotalMolweight363.368
Molweight363.368
MonoisotopicMass363.110674
CLogP3.314
CLogS-4.559
H Acceptors6
H Donors1
TotalSurfaceArea294.09
Relative PSA0.25761
PolarSurfaceArea81.68
Druglikeness1.0162
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55556
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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