MMsINC Database Search


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MMsINC code: MMs01405703

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1

InChI:

InChI=1/C17H17F3N2O4S2/c18-14-8-9-15(17(20)16(14)19)27(23,24)21-12-4-6-13(7-5-12)28(25,26)22-10-2-1-3-11-22/h4-9,21H,1-3,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8932 kcal/mol

Physical Properties
Molecular Weight: 434.459 g/mol	logS: -4.59937	SlogP: 3.0793	Reactive groups: 0

Topological Properties
Globularity: 0.105978	Sterimol/B1: 2.43143	Sterimol/B2: 4.54454	Sterimol/B3: 4.55996
Sterimol/B4: 6.04841	Sterimol/L: 16.4389

Surface and Volume Properties
Accessible surface: 604.936	Positive charged surface: 314.367	Negative charged surface: 290.569	Volume: 341.125
Hydrophobic surface: 472.028	Hydrophilic surface: 132.908

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.