MMsINC Database Search


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MMsINC code: MMs02791511

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

OCc1ccccc1-c1ccccc1CCO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8502 kcal/mol

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

Topological Properties
Globularity: 0.422491	Sterimol/B1: 3.58476	Sterimol/B2: 4.19242	Sterimol/B3: 5.03052
Sterimol/B4: 6.27026	Sterimol/L: 12.0438

Surface and Volume Properties
Accessible surface: 444.044	Positive charged surface: 284.975	Negative charged surface: 158.243	Volume: 235.375
Hydrophobic surface: 337.33	Hydrophilic surface: 106.714

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.