MMsINC Database Search


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MMsINC code: MMs02993588

Type: Neutral
Formula: C₁₅H₂₁NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCCCCCC1

InChI:

InChI=1/C15H21NO2/c1-18-14-9-7-13(8-10-14)15(17)16-11-5-3-2-4-6-12-16/h7-10H,2-6,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6252 kcal/mol

Physical Properties
Molecular Weight: 247.338 g/mol	logS: -2.94654	SlogP: 3.1015	Reactive groups: 0

Topological Properties
Globularity: 0.165646	Sterimol/B1: 3.27954	Sterimol/B2: 3.61193	Sterimol/B3: 4.5004
Sterimol/B4: 4.70495	Sterimol/L: 13.7087

Surface and Volume Properties
Accessible surface: 466.166	Positive charged surface: 343.372	Negative charged surface: 122.794	Volume: 254.75
Hydrophobic surface: 428.477	Hydrophilic surface: 37.689

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.