MMsINC Database Search


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MMsINC code: MMs01630898

Type: Neutral
Formula: C₁₄H₁₅FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N(C)C)ccc1)c1ccc(F)cc1

InChI:

InChI=1/C14H15FN2O4S2/c1-17(2)23(20,21)14-5-3-4-12(10-14)16-22(18,19)13-8-6-11(15)7-9-13/h3-10,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7609 kcal/mol

Physical Properties
Molecular Weight: 358.414 g/mol	logS: -3.25526	SlogP: 1.8768	Reactive groups: 0

Topological Properties
Globularity: 0.17761	Sterimol/B1: 2.60802	Sterimol/B2: 3.96786	Sterimol/B3: 5.28807
Sterimol/B4: 6.70599	Sterimol/L: 14.0338

Surface and Volume Properties
Accessible surface: 545.717	Positive charged surface: 300.37	Negative charged surface: 245.347	Volume: 293
Hydrophobic surface: 409.097	Hydrophilic surface: 136.62

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.