MMsINC Database Search


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MMsINC code: MMs01628795

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)NCc1ccccc1F

InChI:

InChI=1/C18H19FN2O4S/c19-17-4-2-1-3-15(17)13-20-18(22)14-5-7-16(8-6-14)26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5872 kcal/mol

Physical Properties
Molecular Weight: 378.424 g/mol	logS: -3.79893	SlogP: 2.043	Reactive groups: 0

Topological Properties
Globularity: 0.0503891	Sterimol/B1: 3.30422	Sterimol/B2: 3.91073	Sterimol/B3: 4.79804
Sterimol/B4: 5.73529	Sterimol/L: 17.6581

Surface and Volume Properties
Accessible surface: 617.712	Positive charged surface: 366.346	Negative charged surface: 251.366	Volume: 331.25
Hydrophobic surface: 504.808	Hydrophilic surface: 112.904

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.