MMsINC Database Search


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MMsINC code: MMs00533229

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)NCCc1ccccc1)C)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S/c1-20(24(22,23)16-9-7-15(18)8-10-16)13-17(21)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4946 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -3.59536	SlogP: 1.80507	Reactive groups: 0

Topological Properties
Globularity: 0.0411737	Sterimol/B1: 1.98939	Sterimol/B2: 3.33211	Sterimol/B3: 4.20523
Sterimol/B4: 7.0985	Sterimol/L: 19.4125

Surface and Volume Properties
Accessible surface: 606.623	Positive charged surface: 349.593	Negative charged surface: 257.03	Volume: 320
Hydrophobic surface: 511.495	Hydrophilic surface: 95.128

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.