(E)-3-(3-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide

Formula:C28H34N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(3-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
MolecularFormula	C28H34N4O2Cl2
Smiles	O=C(/C=C/c1cc(Cl)ccc1)NCCCN1CCN(CCCNC(/C=C/c2cccc(Cl)c2)=O)CC1
InChI	InChI=1S/C28H34Cl2N4O2/c29-25-7-1-5-23(21-25)9-11-27(35)31-13-3-15-33-17-19-34(20-18-33)16-4-14-32-28(36)12-10-24-6-2-8-26(30)22-24/h1-2,5-12,21-22H,3-4,13-20H2,(H,31,35)(H,32,36)
InChIK	GQAHUFRNRRKBOY-UHFFFAOYSA-N
TotalMolweight	529.51
Molweight	529.51
MonoisotopicMass	528.20588
CLogP	4.5896
CLogS	-4.602
H Acceptors	6
H Donors	2
TotalSurfaceArea	419.98
Relative PSA	0.13358
PolarSurfaceArea	64.68
Druglikeness	7.3393
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	19
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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1 - (E)-3-(3-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide

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