MMsINC Database Search


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MMsINC code: MMs02791877

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

OCc1ccccc1-c1ccc(cc1)CO

InChI:

InChI=1/C14H14O2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8,15-16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4732 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.3533	SlogP: 2.871	Reactive groups: 0

Topological Properties
Globularity: 0.0576374	Sterimol/B1: 2.68488	Sterimol/B2: 3.14385	Sterimol/B3: 3.54638
Sterimol/B4: 5.96809	Sterimol/L: 13.9009

Surface and Volume Properties
Accessible surface: 441.755	Positive charged surface: 274.27	Negative charged surface: 163.301	Volume: 220
Hydrophobic surface: 324.101	Hydrophilic surface: 117.654

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.