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MMsINC code: MMs01556180

Type: Neutral
Formula: C₁₅H₁₃ClFNOS

SMILES:

Clc1cc(NC(=O)CSCc2ccccc2)c(F)cc1

InChI:

InChI=1/C15H13ClFNOS/c16-12-6-7-13(17)14(8-12)18-15(19)10-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2584 kcal/mol

Physical Properties
Molecular Weight: 309.792 g/mol	logS: -5.37602	SlogP: 4.6174	Reactive groups: 0

Topological Properties
Globularity: 0.0458475	Sterimol/B1: 3.43371	Sterimol/B2: 4.0372	Sterimol/B3: 4.53431
Sterimol/B4: 4.84079	Sterimol/L: 17.2617

Surface and Volume Properties
Accessible surface: 545.766	Positive charged surface: 263.347	Negative charged surface: 282.42	Volume: 276.375
Hydrophobic surface: 471.594	Hydrophilic surface: 74.172

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.