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MMsINC code: MMs02927148

Type: Neutral
Formula: C₁₅H₁₇FN₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)N1CCN(CC1)Cc1ccccc1F

InChI:

InChI=1/C15H17FN2O2S2/c16-14-5-2-1-4-13(14)12-17-7-9-18(10-8-17)22(19,20)15-6-3-11-21-15/h1-6,11H,7-10,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9496 kcal/mol

Physical Properties
Molecular Weight: 340.443 g/mol	logS: -3.37306	SlogP: 2.6601	Reactive groups: 0

Topological Properties
Globularity: 0.135882	Sterimol/B1: 4.01431	Sterimol/B2: 4.31909	Sterimol/B3: 4.56596
Sterimol/B4: 4.78281	Sterimol/L: 14.7139

Surface and Volume Properties
Accessible surface: 535.683	Positive charged surface: 292.023	Negative charged surface: 243.66	Volume: 295
Hydrophobic surface: 468.637	Hydrophilic surface: 67.046

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02927149
PUBCHEM-ZINC02789633