MMsINC Database Search


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MMsINC code: MMs01524906

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-12(13-4-8-15(18)9-5-13)19-17(21)14-6-10-16(11-7-14)24(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8796 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -3.83466	SlogP: 2.6625	Reactive groups: 0

Topological Properties
Globularity: 0.0580366	Sterimol/B1: 2.1352	Sterimol/B2: 2.8427	Sterimol/B3: 5.67668
Sterimol/B4: 6.32313	Sterimol/L: 17.5102

Surface and Volume Properties
Accessible surface: 590.752	Positive charged surface: 339.285	Negative charged surface: 251.467	Volume: 318.125
Hydrophobic surface: 479.776	Hydrophilic surface: 110.976

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.