MMsINC Database Search


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MMsINC code: MMs01242660

Type: Neutral
Formula: C₁₀H₁₂O₂

SMILES:

O1CC1COc1cc(ccc1)C

InChI:

InChI=1/C10H12O2/c1-8-3-2-4-9(5-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8312 kcal/mol

Physical Properties
Molecular Weight: 164.204 g/mol	logS: -2.20066	SlogP: 1.77262	Reactive groups: 1

Topological Properties
Globularity: 0.0214503	Sterimol/B1: 2.42591	Sterimol/B2: 2.51227	Sterimol/B3: 2.94586
Sterimol/B4: 5.50868	Sterimol/L: 13.2073

Surface and Volume Properties
Accessible surface: 387.429	Positive charged surface: 220.443	Negative charged surface: 166.986	Volume: 171.25
Hydrophobic surface: 350.739	Hydrophilic surface: 36.69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.