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MMsINC code: MMs00009992

Type: Neutral
Formula: C₁₈H₁₄O₈

SMILES:

O(C(=O)c1ccccc1)C(C(OC(=O)c1ccccc1)C(O)=O)C(O)=O

InChI:

InChI=1/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0212 kcal/mol

Physical Properties
Molecular Weight: 358.302 g/mol	logS: -3.93436	SlogP: 1.6068	Reactive groups: 0

Topological Properties
Globularity: 0.0467614	Sterimol/B1: 3.54682	Sterimol/B2: 3.67132	Sterimol/B3: 4.13203
Sterimol/B4: 4.40791	Sterimol/L: 18.7441

Surface and Volume Properties
Accessible surface: 597.815	Positive charged surface: 308.34	Negative charged surface: 289.475	Volume: 312.5
Hydrophobic surface: 392.619	Hydrophilic surface: 205.196

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00009993
ACROSORGANICS-ZINC01632637