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C32H32N4O3F2 | Cheminformatics
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N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

Molecular Formula : C32H32N4O3F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[4-[(4-fluorophenyl)methoxy]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-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

MolecularFormula : C32H32N4O3F2

Smiles : O=C(C1(CCNCC1)NC(/C=C/c(cc1)ccc1OCc(cc1)ccc1F)=O)NCCc1c[nH]c(cc2)c1cc2F

InChI : InChI=1S/C32H32F2N4O3/c33-25-6-1-23(2-7-25)21-41-27-9-3-22(4-10-27)5-12-30(39)38-32(14-17-35-18-15-32)31(40)36-16-13-24-20-37-29-11-8-26(34)19-28(24)29/h1-12,19-20,35,37H,13-18,21H2,(H,36,40)(H,38,39)

InChIK : YHSGYGVVJOFKMR-UHFFFAOYSA-N

TotalMolweight : 558.627

Molweight : 558.627

MonoisotopicMass : 558.244247

CLogP : 4.0885

CLogS : -6.045

H Acceptors : 7

H Donors : 4

TotalSurfaceArea : 429.26

Relative PSA : 0.19673

PolarSurfaceArea : 95.25

Druglikeness : 1.6121

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.60976

Fragments : 1

Non HAtoms : 41

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 10

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 21

Sp3Atoms : 10

Symmetricatoms : 6

Amides : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
2 - N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
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