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C24H22N4O3 | Cheminformatics
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2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]-N-phenylacetamide

Molecular Formula : C24H22N4O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]-N-phenylacetamide is a drug-like molecule.

MolName : 2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]-N-phenylacetamide

MolecularFormula : C24H22N4O3

Smiles : N#C/C(/C(N1CCOCC1)=O)=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2

InChI : InChI=1S/C24H22N4O3/c25-15-18(24(30)27-10-12-31-13-11-27)14-19-16-28(22-9-5-4-8-21(19)22)17-23(29)26-20-6-2-1-3-7-20/h1-9,14,16H,10-13,17H2,(H,26,29)

InChIK : WZOCEVADQIPZBN-UHFFFAOYSA-N

TotalMolweight : 414.464

Molweight : 414.464

MonoisotopicMass : 414.169191

CLogP : 2.3294

CLogS : -3.135

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 325.8

Relative PSA : 0.21952

PolarSurfaceArea : 87.36

Druglikeness : 0.21093

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.54839

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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1 - 2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]-N-phenylacetamide
2 - 2-[3-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]indol-1-yl]-N-phenylacetamide
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