MMsINC Database Search


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MMsINC code: MMs02842342

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

OCCN(C)C1(CCCCC1)c1ccccc1

InChI:

InChI=1/C15H23NO/c1-16(12-13-17)15(10-6-3-7-11-15)14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3005 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -2.52493	SlogP: 3.0816	Reactive groups: 0

Topological Properties
Globularity: 0.394196	Sterimol/B1: 2.12911	Sterimol/B2: 4.61816	Sterimol/B3: 5.50297
Sterimol/B4: 5.58749	Sterimol/L: 11.9324

Surface and Volume Properties
Accessible surface: 444.216	Positive charged surface: 338.837	Negative charged surface: 105.378	Volume: 253.625
Hydrophobic surface: 402.529	Hydrophilic surface: 41.687

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02842343
PUBCHEM-ZINC02000003