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MMsINC code: MMs02957110

Type: Neutral
Formula: C₉H₈Cl₃NO₄S

SMILES:

ClC(Cl)(Cl)C(S(O)(=O)=O)NC(=O)c1ccccc1

InChI:

InChI=1/C9H8Cl3NO4S/c10-9(11,12)8(18(15,16)17)13-7(14)6-4-2-1-3-5-6/h1-5,8H,(H,13,14)(H,15,16,17)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0991 kcal/mol

Physical Properties
Molecular Weight: 332.591 g/mol	logS: -3.84005	SlogP: 1.8547	Reactive groups: 0

Topological Properties
Globularity: 0.10787	Sterimol/B1: 3.38519	Sterimol/B2: 4.08378	Sterimol/B3: 4.14302
Sterimol/B4: 5.15775	Sterimol/L: 13.3997

Surface and Volume Properties
Accessible surface: 468.639	Positive charged surface: 142.277	Negative charged surface: 326.362	Volume: 237.875
Hydrophobic surface: 195.566	Hydrophilic surface: 273.073

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02957111
PUBCHEM-ZINC02905506