4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-4-carboxamide

Formula:C29H30N4O3ClF Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-4-carboxamide is not a drug-like molecule.

MolName	4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-4-carboxamide
MolecularFormula	C29H30N4O3ClF
Smiles	O=C(Cc1cccc2ccccc12)NCCNC(C1(CCNCC1)NC(/C=C/c(ccc(Cl)c1)c1F)=O)=O
InChI	InChI=1S/C29H30ClFN4O3/c30-23-10-8-21(25(31)19-23)9-11-26(36)35-29(12-14-32-15-13-29)28(38)34-17-16-33-27(37)18-22-6-3-5-20-4-1-2-7-24(20)22/h1-11,19,32H,12-18H2,(H,33,37)(H,34,38)(H,35,36)
InChIK	OXZGSYFDKRKTOF-UHFFFAOYSA-N
TotalMolweight	537.033
Molweight	537.033
MonoisotopicMass	536.199046
CLogP	3.4843
CLogS	-5.974
H Acceptors	7
H Donors	4
TotalSurfaceArea	408.21
Relative PSA	0.20813
PolarSurfaceArea	99.33
Druglikeness	2.56
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-4-carboxamide | 2 - 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-4-carboxamide

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