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MMsINC code: MMs03194824

Type: Neutral
Formula: C₂₀H₁₅FN₂O₅S

SMILES:

S(=O)(=O)(Nc1ccccc1F)c1cc(ccc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C20H15FN2O5S/c21-16-9-2-4-11-18(16)23-29(27,28)14-7-5-6-13(12-14)19(24)22-17-10-3-1-8-15(17)20(25)26/h1-12,23H,(H,22,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0034 kcal/mol

Physical Properties
Molecular Weight: 414.413 g/mol	logS: -5.28109	SlogP: 3.577	Reactive groups: 0

Topological Properties
Globularity: 0.0719891	Sterimol/B1: 3.37007	Sterimol/B2: 4.11783	Sterimol/B3: 4.46105
Sterimol/B4: 7.802	Sterimol/L: 15.1141

Surface and Volume Properties
Accessible surface: 610.496	Positive charged surface: 303.923	Negative charged surface: 306.574	Volume: 346
Hydrophobic surface: 420.946	Hydrophilic surface: 189.55

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03194825
PUBCHEM-ZINC05060055