N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

Formula:C26H26N4O3F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide is not a drug-like molecule.

MolName	N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
MolecularFormula	C26H26N4O3F4
Smiles	O=C(C1(CCNCC1)NC(/C=C/c1cc(OC(F)(F)F)ccc1)=O)NCCc1c[nH]c(cc2)c1cc2F
InChI	InChI=1S/C26H26F4N4O3/c27-19-5-6-22-21(15-19)18(16-33-22)8-11-32-24(36)25(9-12-31-13-10-25)34-23(35)7-4-17-2-1-3-20(14-17)37-26(28,29)30/h1-7,14-16,31,33H,8-13H2,(H,32,36)(H,34,35)
InChIK	QZXXETQGRPFIGU-UHFFFAOYSA-N
TotalMolweight	518.509
Molweight	518.509
MonoisotopicMass	518.194103
CLogP	3.7386
CLogS	-5.413
H Acceptors	7
H Donors	4
TotalSurfaceArea	378.85
Relative PSA	0.22291
PolarSurfaceArea	95.25
Druglikeness	-4.9273
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide | 2 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

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