MMsINC Database Search


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MMsINC code: MMs00278194

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(CC)c1ccc(cc1)C(=O)NCCCCCC

InChI:

InChI=1/C15H23NO2/c1-3-5-6-7-12-16-15(17)13-8-10-14(11-9-13)18-4-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2718 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.98324	SlogP: 3.3954	Reactive groups: 0

Topological Properties
Globularity: 0.0121227	Sterimol/B1: 2.37543	Sterimol/B2: 2.37567	Sterimol/B3: 2.68448
Sterimol/B4: 6.26729	Sterimol/L: 19.6516

Surface and Volume Properties
Accessible surface: 559.33	Positive charged surface: 402.804	Negative charged surface: 156.526	Volume: 271.75
Hydrophobic surface: 463.47	Hydrophilic surface: 95.86

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: no related molecules available.