MMsINC Database Search


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MMsINC code: MMs02676217

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

O(C)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C11H10O2/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2914 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -2.95119	SlogP: 2.554	Reactive groups: 0

Topological Properties
Globularity: 0.0149311	Sterimol/B1: 2.34808	Sterimol/B2: 2.40035	Sterimol/B3: 3.00211
Sterimol/B4: 5.6559	Sterimol/L: 11.9239

Surface and Volume Properties
Accessible surface: 373.91	Positive charged surface: 231.987	Negative charged surface: 130.853	Volume: 172.75
Hydrophobic surface: 316.017	Hydrophilic surface: 57.893

Pharmacophoric Properties
Hydrogen bond donors: 1	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.