MMsINC Database Search


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MMsINC code: MMs02309495

Type: Neutral
Formula: C₁₀H₁₄O₂

SMILES:

O(C)c1cc(C)c(O)c(C)c1C

InChI:

InChI=1/C10H14O2/c1-6-5-9(12-4)7(2)8(3)10(6)11/h5,11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9093 kcal/mol

Physical Properties
Molecular Weight: 166.22 g/mol	logS: -1.55472	SlogP: 2.32606	Reactive groups: 0

Topological Properties
Globularity: 0.0578563	Sterimol/B1: 1.969	Sterimol/B2: 2.50224	Sterimol/B3: 2.50593
Sterimol/B4: 7.70649	Sterimol/L: 10.5682

Surface and Volume Properties
Accessible surface: 372.982	Positive charged surface: 271.071	Negative charged surface: 101.911	Volume: 175.625
Hydrophobic surface: 333.766	Hydrophilic surface: 39.216

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.