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MMsINC code: MMs01426298

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₅S₂

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)NCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H14F2N2O5S2/c16-15(17)25(21,22)12-7-3-11(4-8-12)14(20)19-9-10-1-5-13(6-2-10)26(18,23)24/h1-8,15H,9H2,(H,19,20)(H2,18,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0845 kcal/mol

Physical Properties
Molecular Weight: 404.414 g/mol	logS: -3.75008	SlogP: 1.9466	Reactive groups: 0

Topological Properties
Globularity: 0.0476188	Sterimol/B1: 2.44202	Sterimol/B2: 4.41803	Sterimol/B3: 4.86805
Sterimol/B4: 4.89159	Sterimol/L: 18.6312

Surface and Volume Properties
Accessible surface: 602.759	Positive charged surface: 267.961	Negative charged surface: 334.798	Volume: 312.625
Hydrophobic surface: 291.426	Hydrophilic surface: 311.333

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01426299
ENAMINE-ZINC03411844