4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide

Formula:C24H25N4O3BrClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide is not a drug-like molecule.

MolName	4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide
MolecularFormula	C24H25N4O3BrClF
Smiles	O=C(C1(CCNCC1)NC(/C=C/c(cc1)cc(Br)c1F)=O)NCCNC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C24H25BrClFN4O3/c25-19-15-16(1-7-20(19)27)2-8-21(32)31-24(9-11-28-12-10-24)23(34)30-14-13-29-22(33)17-3-5-18(26)6-4-17/h1-8,15,28H,9-14H2,(H,29,33)(H,30,34)(H,31,32)
InChIK	PGPBBMZZLCBEHQ-UHFFFAOYSA-N
TotalMolweight	551.843
Molweight	551.843
MonoisotopicMass	550.078257
CLogP	3.017
CLogS	-5.237
H Acceptors	7
H Donors	4
TotalSurfaceArea	378.48
Relative PSA	0.22448
PolarSurfaceArea	99.33
Druglikeness	0.70067
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	3
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide | 2 - 4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide

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