MMsINC Database Search


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MMsINC code: MMs02672036

Type: Neutral
Formula: C₁₀H₁₂O₂

SMILES:

OC1CCc2c(cccc2)C1O

InChI:

InChI=1/C10H12O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.3227 kcal/mol

Physical Properties
Molecular Weight: 164.204 g/mol	logS: -1.339	SlogP: 1.12257	Reactive groups: 0

Topological Properties
Globularity: 0.0740961	Sterimol/B1: 2.79916	Sterimol/B2: 3.03843	Sterimol/B3: 3.46138
Sterimol/B4: 5.01204	Sterimol/L: 10.7459

Surface and Volume Properties
Accessible surface: 348.772	Positive charged surface: 218.258	Negative charged surface: 130.514	Volume: 162.75
Hydrophobic surface: 260.898	Hydrophilic surface: 87.874

Pharmacophoric Properties
Hydrogen bond donors: 2	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.