MMsINC Database Search


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MMsINC code: MMs02247341

Type: Neutral
Formula: C₁₀H₈O₄

SMILES:

Oc1c(O)c(O)c2c(cccc2)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0554 kcal/mol

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

Topological Properties
Globularity: 0.0194879	Sterimol/B1: 2.21046	Sterimol/B2: 2.36343	Sterimol/B3: 3.7954
Sterimol/B4: 5.27245	Sterimol/L: 10.1964

Surface and Volume Properties
Accessible surface: 364.949	Positive charged surface: 213.033	Negative charged surface: 140.845	Volume: 167
Hydrophobic surface: 187.596	Hydrophilic surface: 177.353

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.