MMsINC Database Search


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MMsINC code: MMs01581567

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S₂

SMILES:

S(CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1

InChI:

InChI=1/C17H19FN2O3S2/c1-20(2)25(22,23)16-9-5-14(6-10-16)19-17(21)11-12-24-15-7-3-13(18)4-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4463 kcal/mol

Physical Properties
Molecular Weight: 382.48 g/mol	logS: -4.49317	SlogP: 3.1969	Reactive groups: 0

Topological Properties
Globularity: 0.0256266	Sterimol/B1: 3.25658	Sterimol/B2: 4.09095	Sterimol/B3: 4.3544
Sterimol/B4: 4.63609	Sterimol/L: 20.3529

Surface and Volume Properties
Accessible surface: 637.557	Positive charged surface: 373.082	Negative charged surface: 264.475	Volume: 335.5
Hydrophobic surface: 502.735	Hydrophilic surface: 134.822

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.