(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C28H29N4O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C28H29N4O4Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C28H29ClN4O4/c29-22-6-4-21(5-7-22)27-12-9-24(37-27)10-13-28(34)32-18-16-30(17-19-32)23-8-11-25(33(35)36)26(20-23)31-14-2-1-3-15-31/h4-13,20H,1-3,14-19H2
InChIK	DDDZFLVHBYIQPN-UHFFFAOYSA-N
TotalMolweight	521.015
Molweight	521.015
MonoisotopicMass	520.187733
CLogP	4.724
CLogS	-6.691
H Acceptors	8
TotalSurfaceArea	393.55
Relative PSA	0.17335
PolarSurfaceArea	85.75
Druglikeness	-0.67298
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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1 - (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one

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