MMsINC Database Search


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MMsINC code: MMs03433291

Type: Neutral
Formula: C₁₂H₁₀ClFN₂O₄S₂

SMILES:

Clc1cc(S(=O)(=O)N)ccc1NS(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C12H10ClFN2O4S2/c13-11-7-10(21(15,17)18)5-6-12(11)16-22(19,20)9-3-1-8(14)2-4-9/h1-7,16H,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.123 kcal/mol

Physical Properties
Molecular Weight: 364.805 g/mol	logS: -4.3026	SlogP: 1.9273	Reactive groups: 0

Topological Properties
Globularity: 0.151549	Sterimol/B1: 3.72909	Sterimol/B2: 3.86432	Sterimol/B3: 5.07948
Sterimol/B4: 5.56854	Sterimol/L: 13.8645

Surface and Volume Properties
Accessible surface: 511.561	Positive charged surface: 198.31	Negative charged surface: 313.251	Volume: 269.375
Hydrophobic surface: 304.998	Hydrophilic surface: 206.563

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03433292
PUBCHEM-ZINC05895158