MMsINC Database Search


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MMsINC code: MMs02627373

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)N1CCCCCC1

InChI:

InChI=1/C14H19NO2/c1-17-13-8-6-7-12(11-13)14(16)15-9-4-2-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7911 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -2.43132	SlogP: 2.7114	Reactive groups: 0

Topological Properties
Globularity: 0.107641	Sterimol/B1: 2.67925	Sterimol/B2: 3.39106	Sterimol/B3: 4.03599
Sterimol/B4: 5.79493	Sterimol/L: 13.1679

Surface and Volume Properties
Accessible surface: 456.155	Positive charged surface: 335.976	Negative charged surface: 120.179	Volume: 239.625
Hydrophobic surface: 417.882	Hydrophilic surface: 38.273

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: no related molecules available.