MMsINC Database Search


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MMsINC code: MMs02141638

Type: Neutral
Formula: C₁₂H₁₃Cl₂F₃N₂S

SMILES:

Clc1cc(Cl)c(NC(=S)NC(C)(C)C)cc1C(F)(F)F

InChI:

InChI=1/C12H13Cl2F3N2S/c1-11(2,3)19-10(20)18-9-4-6(12(15,16)17)7(13)5-8(9)14/h4-5H,1-3H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.041 kcal/mol

Physical Properties
Molecular Weight: 345.216 g/mol	logS: -6.15159	SlogP: 5.4086	Reactive groups: 0

Topological Properties
Globularity: 0.0757859	Sterimol/B1: 1.969	Sterimol/B2: 4.34806	Sterimol/B3: 4.68594
Sterimol/B4: 5.73465	Sterimol/L: 14.6281

Surface and Volume Properties
Accessible surface: 505.093	Positive charged surface: 195.019	Negative charged surface: 310.073	Volume: 270.25
Hydrophobic surface: 302.954	Hydrophilic surface: 202.139

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.