1-[(E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide

Formula:C26H26N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide is a drug-like molecule.

MolName	1-[(E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide
MolecularFormula	C26H26N4O3
Smiles	NC(C(CC1)CCN1C(/C(/C#N)=C/c1cn(CCOc2ccccc2)c2c1cccc2)=O)=O
InChI	InChI=1S/C26H26N4O3/c27-17-20(26(32)29-12-10-19(11-13-29)25(28)31)16-21-18-30(24-9-5-4-8-23(21)24)14-15-33-22-6-2-1-3-7-22/h1-9,16,18-19H,10-15H2,(H2,28,31)
InChIK	VSPHHVDCIJBKNA-UHFFFAOYSA-N
TotalMolweight	442.517
Molweight	442.517
MonoisotopicMass	442.200491
CLogP	2.7212
CLogS	-3.711
H Acceptors	7
H Donors	1
TotalSurfaceArea	349.12
Relative PSA	0.21577
PolarSurfaceArea	101.35
Druglikeness	2.0917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - 1-[(E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide | 2 - 1-[(E)-2-cyano-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enoyl]piperidine-4-carboxamide

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