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

Formula:C28H28N4O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C28H28N4O4Cl2
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C28H28Cl2N4O4/c29-23-6-4-5-22(28(23)30)26-11-8-21(38-26)9-12-27(35)33-17-15-31(16-18-33)20-7-10-24(34(36)37)25(19-20)32-13-2-1-3-14-32/h4-12,19H,1-3,13-18H2
InChIK	LUSPSCNZJHDXMX-UHFFFAOYSA-N
TotalMolweight	555.46
Molweight	555.46
MonoisotopicMass	554.14876
CLogP	5.33
CLogS	-7.427
H Acceptors	8
TotalSurfaceArea	408.97
Relative PSA	0.16681
PolarSurfaceArea	85.75
Druglikeness	-0.67298
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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

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