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MMsINC code: MMs02359760

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

Oc1ccc(cc1)C(=O)CNC1CCCCC1

InChI:

InChI=1/C14H19NO2/c16-13-8-6-11(7-9-13)14(17)10-15-12-4-2-1-3-5-12/h6-9,12,15-16H,1-5,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7403 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -2.56592	SlogP: 2.4972	Reactive groups: 0

Topological Properties
Globularity: 0.0471573	Sterimol/B1: 2.68666	Sterimol/B2: 2.80568	Sterimol/B3: 3.79317
Sterimol/B4: 5.1127	Sterimol/L: 15.7125

Surface and Volume Properties
Accessible surface: 479.258	Positive charged surface: 330.083	Negative charged surface: 149.175	Volume: 241.125
Hydrophobic surface: 380.183	Hydrophilic surface: 99.075

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02359761
NCID-ZINC01742366