MMsINC Database Search


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MMsINC code: MMs00046645

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

O(c1ccccc1O)c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9847 kcal/mol

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

Topological Properties
Globularity: 0.112545	Sterimol/B1: 3.01665	Sterimol/B2: 3.48736	Sterimol/B3: 3.89397
Sterimol/B4: 5.37417	Sterimol/L: 12.9913

Surface and Volume Properties
Accessible surface: 408.193	Positive charged surface: 238.73	Negative charged surface: 169.463	Volume: 192.375
Hydrophobic surface: 306.061	Hydrophilic surface: 102.132

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.