(E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide

Formula:C24H22N3O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(4-chlorophenyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
MolecularFormulaC24H22N3O3Cl
SmilesO=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)ccc1N(CC1)CCN1C(c1ccco1)=O
InChIInChI=1S/C24H22ClN3O3/c25-19-6-3-18(4-7-19)5-12-23(29)26-20-8-10-21(11-9-20)27-13-15-28(16-14-27)24(30)22-2-1-17-31-22/h1-12,17H,13-16H2,(H,26,29)
InChIKMOMPEJGUZPKVIC-UHFFFAOYSA-N
TotalMolweight435.91
Molweight435.91
MonoisotopicMass435.134969
CLogP4.2099
CLogS-4.973
H Acceptors6
H Donors1
TotalSurfaceArea333.49
Relative PSA0.17617
PolarSurfaceArea65.79
Druglikeness5.6671
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.67742
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms6
Amides2
Amines1
Aromatic Amines1
StereoCon

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