MMsINC Database Search


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MMsINC code: MMs02742316

Type: Neutral
Formula: C₁₀H₈O₄

SMILES:

Oc1c2c(cc(O)c1)cc(O)cc2O

InChI:

InChI=1/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4647 kcal/mol

Physical Properties
Molecular Weight: 192.17 g/mol	logS: -1.81496	SlogP: 1.6622	Reactive groups: 0

Topological Properties
Globularity: 0.0182193	Sterimol/B1: 2.11342	Sterimol/B2: 2.4778	Sterimol/B3: 2.58918
Sterimol/B4: 5.92569	Sterimol/L: 10.7192

Surface and Volume Properties
Accessible surface: 363.841	Positive charged surface: 213.933	Negative charged surface: 138.837	Volume: 166.75
Hydrophobic surface: 181.932	Hydrophilic surface: 181.909

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.