MMsINC Database Search


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MMsINC code: MMs02791359

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

OCc1cc(ccc1)-c1cc(ccc1)CCO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8398 kcal/mol

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

Topological Properties
Globularity: 0.0403881	Sterimol/B1: 2.45215	Sterimol/B2: 2.56185	Sterimol/B3: 3.46815
Sterimol/B4: 7.42675	Sterimol/L: 14.6632

Surface and Volume Properties
Accessible surface: 478.572	Positive charged surface: 291.446	Negative charged surface: 176.055	Volume: 237.375
Hydrophobic surface: 359.317	Hydrophilic surface: 119.255

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.