MMsINC Database Search


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MMsINC code: MMs00010739

Type: Neutral
Formula: C₈H₁₀O₂

SMILES:

O(CC)c1cc(O)ccc1

InChI:

InChI=1/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0164 kcal/mol

Physical Properties
Molecular Weight: 138.166 g/mol	logS: -1.40052	SlogP: 1.7909	Reactive groups: 0

Topological Properties
Globularity: 0.0272112	Sterimol/B1: 2.4068	Sterimol/B2: 2.40981	Sterimol/B3: 3.24001
Sterimol/B4: 4.58127	Sterimol/L: 11.1419

Surface and Volume Properties
Accessible surface: 338.023	Positive charged surface: 219.066	Negative charged surface: 118.957	Volume: 141.25
Hydrophobic surface: 255.697	Hydrophilic surface: 82.326

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.