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MMsINC code: MMs02265886

Type: Neutral
Formula: C₁₈H₁₂Cl₂O₆

SMILES:

Clc1ccc(cc1)C(C(=O)C(=O)C(C(O)=O)c1ccc(Cl)cc1)C(O)=O

InChI:

InChI=1/C18H12Cl2O6/c19-11-5-1-9(2-6-11)13(17(23)24)15(21)16(22)14(18(25)26)10-3-7-12(20)8-4-10/h1-8,13-14H,(H,23,24)(H,25,26)/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4084 kcal/mol

Physical Properties
Molecular Weight: 395.194 g/mol	logS: -5.12136	SlogP: 3.1682	Reactive groups: 1

Topological Properties
Globularity: 0.128596	Sterimol/B1: 2.57602	Sterimol/B2: 3.16672	Sterimol/B3: 4.98217
Sterimol/B4: 6.27279	Sterimol/L: 17.425

Surface and Volume Properties
Accessible surface: 600.298	Positive charged surface: 252.825	Negative charged surface: 347.473	Volume: 323.25
Hydrophobic surface: 411.811	Hydrophilic surface: 188.487

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

MMs02265887
NCID-ZINC01616411