MMsINC Database Search


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MMsINC code: MMs02187805

Type: Ionized
Formula: C₇H₄Cl₂NO₄S-

SMILES:

ClN(Cl)S(=O)(=O)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7478 kcal/mol

Physical Properties
Molecular Weight: 269.084 g/mol	logS: -3.38376	SlogP: 0.3484	Reactive groups: 0

Topological Properties
Globularity: 0.0844627	Sterimol/B1: 2.43789	Sterimol/B2: 3.32672	Sterimol/B3: 4.14257
Sterimol/B4: 4.88405	Sterimol/L: 12.802

Surface and Volume Properties
Accessible surface: 396.739	Positive charged surface: 205.436	Negative charged surface: 191.303	Volume: 188.75
Hydrophobic surface: 249.271	Hydrophilic surface: 147.468

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs02187804
MICROSOURCE-ZINC01482080