MMsINC Database Search


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MMsINC code: MMs02301628

Type: Neutral
Formula: C₁₀H₁₂O₂

SMILES:

O(C)C1Cc2c(cccc2)C1O

InChI:

InChI=1/C10H12O2/c1-12-9-6-7-4-2-3-5-8(7)10(9)11/h2-5,9-11H,6H2,1H3/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3439 kcal/mol

Physical Properties
Molecular Weight: 164.204 g/mol	logS: -1.48241	SlogP: 1.38657	Reactive groups: 0

Topological Properties
Globularity: 0.04788	Sterimol/B1: 2.65572	Sterimol/B2: 2.83707	Sterimol/B3: 3.88461
Sterimol/B4: 4.65678	Sterimol/L: 11.9262

Surface and Volume Properties
Accessible surface: 366.908	Positive charged surface: 256.332	Negative charged surface: 110.576	Volume: 168.375
Hydrophobic surface: 313.885	Hydrophilic surface: 53.023

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

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.