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MMsINC code: MMs03533898

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

O(CCCN(C)C)C(=O)\C=C/c1ccccc1

InChI:

InChI=1/C14H19NO2/c1-15(2)11-6-12-17-14(16)10-9-13-7-4-3-5-8-13/h3-5,7-10H,6,11-12H2,1-2H3/b10-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2454 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -2.37209	SlogP: 2.1947	Reactive groups: 0

Topological Properties
Globularity: 0.0499684	Sterimol/B1: 2.5323	Sterimol/B2: 3.50645	Sterimol/B3: 3.97596
Sterimol/B4: 5.77673	Sterimol/L: 15.9963

Surface and Volume Properties
Accessible surface: 502.651	Positive charged surface: 377.367	Negative charged surface: 125.284	Volume: 247.5
Hydrophobic surface: 477.013	Hydrophilic surface: 25.638

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03533899
PUBCHEM-ZINC06087966