MMsINC Database Search


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MMsINC code: MMs01220670

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂S

SMILES:

S1CC(=O)N(CC(=O)NCc2ccc(F)cc2)C1c1cc(ccc1)C

InChI:

InChI=1/C19H19FN2O2S/c1-13-3-2-4-15(9-13)19-22(18(24)12-25-19)11-17(23)21-10-14-5-7-16(20)8-6-14/h2-9,19H,10-12H2,1H3,(H,21,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4982 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -5.15584	SlogP: 3.38642	Reactive groups: 0

Topological Properties
Globularity: 0.0943616	Sterimol/B1: 2.42395	Sterimol/B2: 2.56606	Sterimol/B3: 5.4863
Sterimol/B4: 9.48269	Sterimol/L: 15.811

Surface and Volume Properties
Accessible surface: 616.483	Positive charged surface: 345.751	Negative charged surface: 270.732	Volume: 331.875
Hydrophobic surface: 496.341	Hydrophilic surface: 120.142

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.