(E)-3-[5-(2,4-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-(2,4-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-(2,4-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(-c(ccc(Cl)c2)c2Cl)o1)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C28H28Cl2N4O4/c29-20-4-8-23(24(30)18-20)27-10-6-22(38-27)7-11-28(35)33-16-14-31(15-17-33)21-5-9-25(34(36)37)26(19-21)32-12-2-1-3-13-32/h4-11,18-19H,1-3,12-17H2
InChIK	FTJIXCNZKALPIX-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	0.57895
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-(2,4-dichlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one

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