MMsINC Database Search


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MMsINC code: MMs02401873

Type: Neutral
Formula: C₁₄H₁₀O₆

SMILES:

Oc1c2c(c(O)c3c1c(O)ccc3O)c(O)ccc2O

InChI:

InChI=1/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.845 kcal/mol

Physical Properties
Molecular Weight: 274.228 g/mol	logS: -2.96894	SlogP: 2.2266	Reactive groups: 0

Topological Properties
Globularity: 0.0162354	Sterimol/B1: 2.28705	Sterimol/B2: 2.40221	Sterimol/B3: 3.85052
Sterimol/B4: 5.27375	Sterimol/L: 12.0764

Surface and Volume Properties
Accessible surface: 434.763	Positive charged surface: 262.539	Negative charged surface: 150.082	Volume: 226.25
Hydrophobic surface: 221.791	Hydrophilic surface: 212.972

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.