MMsINC Database Search


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MMsINC code: MMs00097602

Type: Neutral
Formula: C₁₁H₁₅NO

SMILES:

O1CCN(CC1)c1ccc(cc1)C

InChI:

InChI=1/C11H15NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.058 kcal/mol

Physical Properties
Molecular Weight: 177.247 g/mol	logS: -2.07769	SlogP: 1.83162	Reactive groups: 0

Topological Properties
Globularity: 0.0491353	Sterimol/B1: 2.90281	Sterimol/B2: 2.96728	Sterimol/B3: 3.52465
Sterimol/B4: 3.68217	Sterimol/L: 12.0418

Surface and Volume Properties
Accessible surface: 392.535	Positive charged surface: 287.349	Negative charged surface: 105.186	Volume: 187.25
Hydrophobic surface: 366.662	Hydrophilic surface: 25.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.