MMsINC Database Search


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MMsINC code: MMs02875970

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(NC(C(=O)NC(C)c1ccccc1)C)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-12(14-6-4-3-5-7-14)19-17(21)13(2)20-24(22,23)16-10-8-15(18)9-11-16/h3-13,20H,1-2H3,(H,19,21)/t12-,13+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2536 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -4.11273	SlogP: 2.4654	Reactive groups: 0

Topological Properties
Globularity: 0.151284	Sterimol/B1: 2.26358	Sterimol/B2: 3.13515	Sterimol/B3: 5.47538
Sterimol/B4: 7.81849	Sterimol/L: 13.8349

Surface and Volume Properties
Accessible surface: 593.53	Positive charged surface: 297.344	Negative charged surface: 296.186	Volume: 315.75
Hydrophobic surface: 451.44	Hydrophilic surface: 142.09

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.