MMsINC Database Search


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MMsINC code: MMs02791314

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

OCc1ccccc1-c1cc(ccc1)CO

InChI:

InChI=1/C14H14O2/c15-9-11-4-3-6-12(8-11)14-7-2-1-5-13(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)=62.5481 kcal/mol

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

Topological Properties
Globularity: 0.112037	Sterimol/B1: 3.30879	Sterimol/B2: 3.33144	Sterimol/B3: 3.55875
Sterimol/B4: 6.07248	Sterimol/L: 12.3332

Surface and Volume Properties
Accessible surface: 441.834	Positive charged surface: 274.544	Negative charged surface: 163.107	Volume: 218.5
Hydrophobic surface: 323.705	Hydrophilic surface: 118.129

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.