MMsINC Database Search


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MMsINC code: MMs01684292

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N(Cc1ccccc1F)C

InChI:

InChI=1/C17H19FN2O3S/c1-19(2)24(22,23)15-10-8-13(9-11-15)17(21)20(3)12-14-6-4-5-7-16(14)18/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8235 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -3.40146	SlogP: 2.6146	Reactive groups: 0

Topological Properties
Globularity: 0.130066	Sterimol/B1: 2.5823	Sterimol/B2: 3.70715	Sterimol/B3: 4.61256
Sterimol/B4: 6.44747	Sterimol/L: 14.9366

Surface and Volume Properties
Accessible surface: 574.331	Positive charged surface: 370.031	Negative charged surface: 204.3	Volume: 317.125
Hydrophobic surface: 486.458	Hydrophilic surface: 87.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.