MMsINC Database Search


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MMsINC code: MMs00618540

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(CC(=O)NC(C(C)C)C(C)C)c1ccccc1

InChI:

InChI=1/C15H23NO2/c1-11(2)15(12(3)4)16-14(17)10-18-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7362 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.06933	SlogP: 2.8622	Reactive groups: 0

Topological Properties
Globularity: 0.0839656	Sterimol/B1: 2.45363	Sterimol/B2: 3.17621	Sterimol/B3: 3.99604
Sterimol/B4: 7.11485	Sterimol/L: 15.8222

Surface and Volume Properties
Accessible surface: 514.355	Positive charged surface: 328.599	Negative charged surface: 185.756	Volume: 269
Hydrophobic surface: 406.506	Hydrophilic surface: 107.849

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.