MMsINC Database Search


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MMsINC code: MMs02240005

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

Oc1cc2c(cc1CO)cccc2

InChI:

InChI=1/C11H10O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6,12-13H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.0175 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -2.67183	SlogP: 2.3041	Reactive groups: 0

Topological Properties
Globularity: 0.0144963	Sterimol/B1: 2.23357	Sterimol/B2: 2.51496	Sterimol/B3: 2.92577
Sterimol/B4: 5.45341	Sterimol/L: 11.2801

Surface and Volume Properties
Accessible surface: 374.56	Positive charged surface: 220.842	Negative charged surface: 142.647	Volume: 172
Hydrophobic surface: 272.622	Hydrophilic surface: 101.938

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

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.