MMsINC Database Search


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MMsINC code: MMs02323364

Type: Neutral
Formula: C₉H₁₀O₂

SMILES:

OC1Cc2c(cccc2)C1O

InChI:

InChI=1/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2703 kcal/mol

Physical Properties
Molecular Weight: 150.177 g/mol	logS: -1.13723	SlogP: 0.73247	Reactive groups: 0

Topological Properties
Globularity: 0.147274	Sterimol/B1: 3.04076	Sterimol/B2: 3.18862	Sterimol/B3: 3.24352
Sterimol/B4: 4.71224	Sterimol/L: 9.50928

Surface and Volume Properties
Accessible surface: 336.615	Positive charged surface: 210.542	Negative charged surface: 126.073	Volume: 149.25
Hydrophobic surface: 238.767	Hydrophilic surface: 97.848

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.