MMsINC Database Search


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MMsINC code: MMs02453975

Type: Neutral
Formula: C₁₂H₁₀O₇

SMILES:

O(c1c(O)cc(O)cc1O)c1cc(O)c(O)c(O)c1

InChI:

InChI=1/C12H10O7/c13-5-1-9(16)12(10(17)2-5)19-6-3-7(14)11(18)8(15)4-6/h1-4,13-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5455 kcal/mol

Physical Properties
Molecular Weight: 266.205 g/mol	logS: -0.99589	SlogP: 1.7125	Reactive groups: 0

Topological Properties
Globularity: 0.14821	Sterimol/B1: 2.48875	Sterimol/B2: 3.66611	Sterimol/B3: 4.88223
Sterimol/B4: 5.30437	Sterimol/L: 13.1601

Surface and Volume Properties
Accessible surface: 455.538	Positive charged surface: 280.965	Negative charged surface: 174.573	Volume: 216.5
Hydrophobic surface: 175.608	Hydrophilic surface: 279.93

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.