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MMsINC code: MMs01783973

Type: Neutral
Formula: C₁₁H₁₀O₅

SMILES:

o1cccc1\C=C(\C=C(\C(O)=O)/C)/C(O)=O

InChI:

InChI=1/C11H10O5/c1-7(10(12)13)5-8(11(14)15)6-9-3-2-4-16-9/h2-6H,1H3,(H,12,13)(H,14,15)/b7-5-,8-6+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.1143 kcal/mol

Physical Properties
Molecular Weight: 222.196 g/mol	logS: -2.13987	SlogP: 1.7785	Reactive groups: 0

Topological Properties
Globularity: 0.157024	Sterimol/B1: 2.23219	Sterimol/B2: 2.69073	Sterimol/B3: 4.54274
Sterimol/B4: 7.36729	Sterimol/L: 11.0113

Surface and Volume Properties
Accessible surface: 410.383	Positive charged surface: 234.082	Negative charged surface: 176.301	Volume: 197.75
Hydrophobic surface: 255.719	Hydrophilic surface: 154.664

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

MMs01783976
IBS-ZINC02097447