(E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide

Formula:C20H23N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
MolecularFormulaC20H23N3O4
SmilesO=C(/C=C/c1ccco1)NCCN(CC1)CCN1C(/C=C/c1ccco1)=O
InChIInChI=1S/C20H23N3O4/c24-19(7-5-17-3-1-15-26-17)21-9-10-22-11-13-23(14-12-22)20(25)8-6-18-4-2-16-27-18/h1-8,15-16H,9-14H2,(H,21,24)
InChIKIFHKEIPAMPWBEN-UHFFFAOYSA-N
TotalMolweight369.42
Molweight369.42
MonoisotopicMass369.168857
CLogP1.4129
CLogS-2.169
H Acceptors7
H Donors1
TotalSurfaceArea302.02
Relative PSA0.24124
PolarSurfaceArea78.93
Druglikeness6.6568
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7037
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms7
Symmetricatoms2
Amides2
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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