MMsINC Database Search


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MMsINC code: MMs03538585

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

Oc1cccc(O)c1-c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2793 kcal/mol

Physical Properties
Molecular Weight: 202.209 g/mol	logS: -2.72541	SlogP: 2.4704	Reactive groups: 0

Topological Properties
Globularity: 0.157933	Sterimol/B1: 2.21154	Sterimol/B2: 3.11917	Sterimol/B3: 4.73435
Sterimol/B4: 5.00767	Sterimol/L: 12.1303

Surface and Volume Properties
Accessible surface: 400.081	Positive charged surface: 242.992	Negative charged surface: 156.246	Volume: 191.625
Hydrophobic surface: 267.84	Hydrophilic surface: 132.241

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.