MMsINC Database Search


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MMsINC code: MMs01509243

Type: Neutral
Formula: C₁₇H₁₇ClF₂N₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CC)CC)cc1C(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C17H17ClF2N2O3S/c1-3-22(4-2)26(24,25)12-6-7-14(18)13(10-12)17(23)21-16-8-5-11(19)9-15(16)20/h5-10H,3-4H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6456 kcal/mol

Physical Properties
Molecular Weight: 402.849 g/mol	logS: -5.2471	SlogP: 3.901	Reactive groups: 0

Topological Properties
Globularity: 0.0476362	Sterimol/B1: 2.37183	Sterimol/B2: 2.76619	Sterimol/B3: 5.31942
Sterimol/B4: 7.91339	Sterimol/L: 17.368

Surface and Volume Properties
Accessible surface: 589.907	Positive charged surface: 287.999	Negative charged surface: 301.907	Volume: 333.25
Hydrophobic surface: 475.137	Hydrophilic surface: 114.77

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.