MMsINC Database Search


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MMsINC code: MMs00606686

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C)c1ccccc1CC(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C15H23NO2/c1-11(2)16(12(3)4)15(17)10-13-8-6-7-9-14(13)18-5/h6-9,11-12H,10H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2928 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -2.84571	SlogP: 2.88307	Reactive groups: 0

Topological Properties
Globularity: 0.22198	Sterimol/B1: 2.39249	Sterimol/B2: 3.01079	Sterimol/B3: 5.71881
Sterimol/B4: 6.45826	Sterimol/L: 12.9527

Surface and Volume Properties
Accessible surface: 481.218	Positive charged surface: 329.24	Negative charged surface: 151.978	Volume: 268.5
Hydrophobic surface: 390.671	Hydrophilic surface: 90.547

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.