MMsINC Database Search


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MMsINC code: MMs03912202

Type: Neutral
Formula: C₁₆H₁₄O₂

SMILES:

OCc1cc2c3cc(ccc3ccc2cc1)CO

InChI:

InChI=1/C16H14O2/c17-9-11-1-3-13-5-6-14-4-2-12(10-18)8-16(14)15(13)7-11/h1-8,17-18H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0509 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -4.68268	SlogP: 3.5104	Reactive groups: 0

Topological Properties
Globularity: 0.0272639	Sterimol/B1: 2.42754	Sterimol/B2: 2.88291	Sterimol/B3: 2.95353
Sterimol/B4: 7.41278	Sterimol/L: 12.1171

Surface and Volume Properties
Accessible surface: 463.194	Positive charged surface: 269.475	Negative charged surface: 171.577	Volume: 238.25
Hydrophobic surface: 337.358	Hydrophilic surface: 125.836

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.