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MMsINC code: MMs02850767

Type: Neutral
Formula: C₁₁H₁₅NO

SMILES:

OC(C(N1CC1)c1ccccc1)C

InChI:

InChI=1/C11H15NO/c1-9(13)11(12-7-8-12)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1849 kcal/mol

Physical Properties
Molecular Weight: 177.247 g/mol	logS: -1.52984	SlogP: 1.5196	Reactive groups: 1

Topological Properties
Globularity: 0.21341	Sterimol/B1: 3.30888	Sterimol/B2: 3.35797	Sterimol/B3: 3.88401
Sterimol/B4: 5.96127	Sterimol/L: 10.9173

Surface and Volume Properties
Accessible surface: 394.496	Positive charged surface: 254.221	Negative charged surface: 140.275	Volume: 193.25
Hydrophobic surface: 330.89	Hydrophilic surface: 63.606

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02850768
PUBCHEM-ZINC02013867