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MMsINC code: MMs03803838

Type: Neutral
Formula: C₁₁H₉Cl₃N₂O₃S

SMILES:

ClC(Cl)(Cl)C(=O)NC(=S)Nc1cccc(C(O)=O)c1C

InChI:

InChI=1/C11H9Cl3N2O3S/c1-5-6(8(17)18)3-2-4-7(5)15-10(20)16-9(19)11(12,13)14/h2-4H,1H3,(H,17,18)(H2,15,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.428 kcal/mol

Physical Properties
Molecular Weight: 355.629 g/mol	logS: -5.58809	SlogP: 3.29632	Reactive groups: 0

Topological Properties
Globularity: 0.0382037	Sterimol/B1: 2.12692	Sterimol/B2: 3.37952	Sterimol/B3: 3.40172
Sterimol/B4: 6.80257	Sterimol/L: 15.9961

Surface and Volume Properties
Accessible surface: 515.466	Positive charged surface: 182.021	Negative charged surface: 333.446	Volume: 267.25
Hydrophobic surface: 159.119	Hydrophilic surface: 356.347

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

MMs03803839
PUBCHEM-ZINC06571292