MMsINC Database Search


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MMsINC code: MMs02301629

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+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8977 kcal/mol

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

Topological Properties
Globularity: 0.113072	Sterimol/B1: 2.50899	Sterimol/B2: 3.78838	Sterimol/B3: 4.1269
Sterimol/B4: 4.73288	Sterimol/L: 11.1322

Surface and Volume Properties
Accessible surface: 360.777	Positive charged surface: 255.945	Negative charged surface: 104.832	Volume: 168.5
Hydrophobic surface: 311.031	Hydrophilic surface: 49.746

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.