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MMsINC code: MMs01299996

Type: Neutral
Formula: C₉H₇Cl₂O₃-

SMILES:

ClC(Cl)c1ccc(OC)cc1C(=O)[O-]

InChI:

InChI=1/C9H8Cl2O3/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,8H,1H3,(H,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1612 kcal/mol

Physical Properties
Molecular Weight: 234.058 g/mol	logS: -3.04996	SlogP: 1.6304	Reactive groups: 0

Topological Properties
Globularity: 0.0499219	Sterimol/B1: 3.47995	Sterimol/B2: 3.49473	Sterimol/B3: 4.17006
Sterimol/B4: 4.87635	Sterimol/L: 11.3931

Surface and Volume Properties
Accessible surface: 391.664	Positive charged surface: 160.453	Negative charged surface: 231.211	Volume: 190
Hydrophobic surface: 184.365	Hydrophilic surface: 207.299

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

MMs01299997
ENAMINE-ZINC03187785