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

Formula:C28H34N4O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[3-[4-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
MolecularFormula	C28H34N4O2F2
Smiles	O=C(/C=C/c(cc1)ccc1F)NCCCN1CCN(CCCNC(/C=C/c(cc2)ccc2F)=O)CC1
InChI	InChI=1S/C28H34F2N4O2/c29-25-9-3-23(4-10-25)7-13-27(35)31-15-1-17-33-19-21-34(22-20-33)18-2-16-32-28(36)14-8-24-5-11-26(30)12-6-24/h3-14H,1-2,15-22H2,(H,31,35)(H,32,36)
InChIK	ZMXGFHMNCLEKBG-UHFFFAOYSA-N
TotalMolweight	496.6
Molweight	496.6
MonoisotopicMass	496.264982
CLogP	3.5792
CLogS	-3.758
H Acceptors	6
H Donors	2
TotalSurfaceArea	401.84
Relative PSA	0.13961
PolarSurfaceArea	64.68
Druglikeness	5.991
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.77778
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	21
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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

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