MMsINC Database Search


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MMsINC code: MMs02775806

Type: Neutral
Formula: C₁₈H₁₉FN₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cccc(C(OC)=O)c1C)c1cc(F)ccc1)C

InChI:

InChI=1/C18H19FN2O5S/c1-12-15(18(23)26-2)8-5-9-16(12)20-17(22)11-21(27(3,24)25)14-7-4-6-13(19)10-14/h4-10H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.71 kcal/mol

Physical Properties
Molecular Weight: 394.423 g/mol	logS: -4.13205	SlogP: 2.32542	Reactive groups: 0

Topological Properties
Globularity: 0.112247	Sterimol/B1: 2.49811	Sterimol/B2: 4.63592	Sterimol/B3: 5.92061
Sterimol/B4: 6.13654	Sterimol/L: 16.9034

Surface and Volume Properties
Accessible surface: 620.439	Positive charged surface: 351.12	Negative charged surface: 269.319	Volume: 339.375
Hydrophobic surface: 499.574	Hydrophilic surface: 120.865

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.