MMsINC Database Search


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MMsINC code: MMs01372268

Type: Neutral
Formula: C₁₇H₁₇FN₂O₅S

SMILES:

S(=O)(=O)(Nc1ccccc1C(OCC(=O)NCc1ccc(F)cc1)=O)C

InChI:

InChI=1/C17H17FN2O5S/c1-26(23,24)20-15-5-3-2-4-14(15)17(22)25-11-16(21)19-10-12-6-8-13(18)9-7-12/h2-9,20H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.064 kcal/mol

Physical Properties
Molecular Weight: 380.396 g/mol	logS: -3.84004	SlogP: 1.9368	Reactive groups: 0

Topological Properties
Globularity: 0.040845	Sterimol/B1: 2.45995	Sterimol/B2: 2.97792	Sterimol/B3: 4.829
Sterimol/B4: 7.54351	Sterimol/L: 18.8952

Surface and Volume Properties
Accessible surface: 630.818	Positive charged surface: 340.03	Negative charged surface: 290.788	Volume: 323.75
Hydrophobic surface: 466.723	Hydrophilic surface: 164.095

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: no related molecules available.