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MMsINC code: MMs01628708

Type: Neutral
Formula: C₁₆H₁₆ClFN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccccc1F

InChI:

InChI=1/C16H16ClFN2O3S/c1-20(2)24(22,23)12-7-8-14(17)13(9-12)16(21)19-10-11-5-3-4-6-15(11)18/h3-9H,10H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1794 kcal/mol

Physical Properties
Molecular Weight: 370.832 g/mol	logS: -4.24174	SlogP: 2.9258	Reactive groups: 0

Topological Properties
Globularity: 0.0920484	Sterimol/B1: 2.20419	Sterimol/B2: 3.03803	Sterimol/B3: 4.58218
Sterimol/B4: 9.41566	Sterimol/L: 14.1668

Surface and Volume Properties
Accessible surface: 588.075	Positive charged surface: 318.41	Negative charged surface: 269.664	Volume: 315.75
Hydrophobic surface: 497.853	Hydrophilic surface: 90.222

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.