MMsINC Database Search


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MMsINC code: MMs02325315

Type: Neutral
Formula: C₈H₁₀O₂

SMILES:

O(C)c1cccc(O)c1C

InChI:

InChI=1/C8H10O2/c1-6-7(9)4-3-5-8(6)10-2/h3-5,9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6002 kcal/mol

Physical Properties
Molecular Weight: 138.166 g/mol	logS: -1.23378	SlogP: 1.70922	Reactive groups: 0

Topological Properties
Globularity: 0.0438795	Sterimol/B1: 1.99317	Sterimol/B2: 2.51583	Sterimol/B3: 2.54238
Sterimol/B4: 6.77044	Sterimol/L: 10.0038

Surface and Volume Properties
Accessible surface: 326.051	Positive charged surface: 229.76	Negative charged surface: 96.2905	Volume: 142.5
Hydrophobic surface: 278.956	Hydrophilic surface: 47.095

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.