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MMsINC code: MMs02927113

Type: Neutral
Formula: C₁₅H₁₆F₂N₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)N1CCN(CC1)Cc1cccc(F)c1F

InChI:

InChI=1/C15H16F2N2O2S2/c16-13-4-1-3-12(15(13)17)11-18-6-8-19(9-7-18)23(20,21)14-5-2-10-22-14/h1-5,10H,6-9,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5284 kcal/mol

Physical Properties
Molecular Weight: 358.433 g/mol	logS: -3.66804	SlogP: 2.7992	Reactive groups: 0

Topological Properties
Globularity: 0.134325	Sterimol/B1: 2.76452	Sterimol/B2: 3.96131	Sterimol/B3: 4.24851
Sterimol/B4: 6.53585	Sterimol/L: 14.7309

Surface and Volume Properties
Accessible surface: 542.307	Positive charged surface: 282.322	Negative charged surface: 259.985	Volume: 298.875
Hydrophobic surface: 477.049	Hydrophilic surface: 65.258

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

MMs02927114
PUBCHEM-ZINC02789565