MMsINC Database Search


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MMsINC code: MMs03451453

Type: Neutral
Formula: C₈H₁₀O₂

SMILES:

O(Cc1ccccc1)CO

InChI:

InChI=1/C8H10O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.6963 kcal/mol

Physical Properties
Molecular Weight: 138.166 g/mol	logS: -1.00404	SlogP: 1.4194	Reactive groups: 0

Topological Properties
Globularity: 0.0463427	Sterimol/B1: 2.6823	Sterimol/B2: 2.87828	Sterimol/B3: 3.60275
Sterimol/B4: 3.78331	Sterimol/L: 11.6513

Surface and Volume Properties
Accessible surface: 344.082	Positive charged surface: 222.055	Negative charged surface: 122.028	Volume: 143.25
Hydrophobic surface: 258.655	Hydrophilic surface: 85.427

Pharmacophoric Properties
Hydrogen bond donors: 1	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.