MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03179904

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(F)cc1)CC(=O)Nc1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C18H19FN2O4S/c1-13(22)15-4-3-5-17(10-15)20-18(23)12-21(26(2,24)25)11-14-6-8-16(19)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9914 kcal/mol

Physical Properties
Molecular Weight: 378.424 g/mol	logS: -3.84616	SlogP: 2.695	Reactive groups: 0

Topological Properties
Globularity: 0.0436551	Sterimol/B1: 2.21608	Sterimol/B2: 4.48074	Sterimol/B3: 5.06111
Sterimol/B4: 6.13328	Sterimol/L: 17.7884

Surface and Volume Properties
Accessible surface: 605.994	Positive charged surface: 319.348	Negative charged surface: 286.646	Volume: 334.125
Hydrophobic surface: 474.744	Hydrophilic surface: 131.25

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.