MMsINC Database Search


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MMsINC code: MMs02346490

Type: Neutral
Formula: C₉H₈ClF₃O₂S

SMILES:

ClCS(=O)(=O)Cc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C9H8ClF3O2S/c10-6-16(14,15)5-7-2-1-3-8(4-7)9(11,12)13/h1-4H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9454 kcal/mol

Physical Properties
Molecular Weight: 272.674 g/mol	logS: -2.99694	SlogP: 3.3944	Reactive groups: 1

Topological Properties
Globularity: 0.078394	Sterimol/B1: 2.50741	Sterimol/B2: 2.98043	Sterimol/B3: 3.2435
Sterimol/B4: 5.95627	Sterimol/L: 12.7652

Surface and Volume Properties
Accessible surface: 419.026	Positive charged surface: 141.767	Negative charged surface: 277.259	Volume: 198.5
Hydrophobic surface: 186.672	Hydrophilic surface: 232.354

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.