MMsINC Database Search


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MMsINC code: MMs03544989

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

O(c1cccc(O)c1O)c1ccccc1

InChI:

InChI=1/C12H10O3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8,13-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6749 kcal/mol

Physical Properties
Molecular Weight: 202.209 g/mol	logS: -2.44369	SlogP: 2.8901	Reactive groups: 0

Topological Properties
Globularity: 0.103533	Sterimol/B1: 3.29607	Sterimol/B2: 3.40317	Sterimol/B3: 3.96652
Sterimol/B4: 4.27959	Sterimol/L: 12.76

Surface and Volume Properties
Accessible surface: 402.342	Positive charged surface: 235.425	Negative charged surface: 166.917	Volume: 190.625
Hydrophobic surface: 305.732	Hydrophilic surface: 96.61

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.