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MMsINC code: MMs01899583

Type: Neutral
Formula: C₁₅H₈Cl₂O₅

SMILES:

Clc1ccc(Cl)cc1C(=O)c1cc(ccc1C(O)=O)C(O)=O

InChI:

InChI=1/C15H8Cl2O5/c16-8-2-4-12(17)11(6-8)13(18)10-5-7(14(19)20)1-3-9(10)15(21)22/h1-6H,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4274 kcal/mol

Physical Properties
Molecular Weight: 339.13 g/mol	logS: -4.86507	SlogP: 3.6208	Reactive groups: 0

Topological Properties
Globularity: 0.166475	Sterimol/B1: 4.91596	Sterimol/B2: 5.07756	Sterimol/B3: 5.17831
Sterimol/B4: 5.22202	Sterimol/L: 13.745

Surface and Volume Properties
Accessible surface: 505.588	Positive charged surface: 205.046	Negative charged surface: 300.542	Volume: 268.75
Hydrophobic surface: 312	Hydrophilic surface: 193.588

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs01899584
IBS-ZINC04834189