(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide

Formula:C28H32N4O2Cl2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
MolecularFormula	C28H32N4O2Cl2F2
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)NCCCN1CCN(CCCNC(/C=C/c(c(F)ccc2)c2Cl)=O)CC1
InChI	InChI=1S/C28H32Cl2F2N4O2/c29-23-5-1-7-25(31)21(23)9-11-27(37)33-13-3-15-35-17-19-36(20-18-35)16-4-14-34-28(38)12-10-22-24(30)6-2-8-26(22)32/h1-2,5-12H,3-4,13-20H2,(H,33,37)(H,34,38)
InChIK	JIXIESJGNDTQFZ-UHFFFAOYSA-N
TotalMolweight	565.49
Molweight	565.49
MonoisotopicMass	564.187036
CLogP	4.7912
CLogS	-5.23
H Acceptors	6
H Donors	2
TotalSurfaceArea	432.68
Relative PSA	0.12966
PolarSurfaceArea	64.68
Druglikeness	5.9993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	12
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	20
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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1 - (E)-3-(2-chloro-6-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide

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