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MMsINC code: MMs01527195

Type: Neutral
Formula: C₁₂H₁₀ClFN₂O₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2F)cc1N

InChI:

InChI=1/C12H10ClFN2O2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h1-7,16H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9204 kcal/mol

Physical Properties
Molecular Weight: 300.741 g/mol	logS: -3.79687	SlogP: 2.8621	Reactive groups: 0

Topological Properties
Globularity: 0.24692	Sterimol/B1: 3.16529	Sterimol/B2: 3.57559	Sterimol/B3: 4.66532
Sterimol/B4: 6.46927	Sterimol/L: 11.7515

Surface and Volume Properties
Accessible surface: 461.78	Positive charged surface: 203.761	Negative charged surface: 258.019	Volume: 240.875
Hydrophobic surface: 330.952	Hydrophilic surface: 130.828

Pharmacophoric Properties
Hydrogen bond donors: 2	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.