MMsINC Database Search


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MMsINC code: MMs02791985

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

OCc1cc(ccc1)-c1ccccc1CCO

InChI:

InChI=1/C15H16O2/c16-9-8-13-5-1-2-7-15(13)14-6-3-4-12(10-14)11-17/h1-7,10,16-17H,8-9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.873 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.41477	SlogP: 2.64707	Reactive groups: 0

Topological Properties
Globularity: 0.181965	Sterimol/B1: 3.35414	Sterimol/B2: 3.4354	Sterimol/B3: 4.28001
Sterimol/B4: 7.0075	Sterimol/L: 12.5187

Surface and Volume Properties
Accessible surface: 459.119	Positive charged surface: 297.731	Negative charged surface: 158.863	Volume: 235.75
Hydrophobic surface: 343.381	Hydrophilic surface: 115.738

Pharmacophoric Properties
Hydrogen bond donors: 2	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.