MMsINC Database Search


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

MMsINC code: MMs01129041

Type: Neutral
Formula: C₂₀H₁₈FNO₅S

SMILES:

S(Oc1cc(ccc1)CN(C(=O)c1cc(F)ccc1)Cc1occc1)(=O)(=O)C

InChI:

InChI=1/C20H18FNO5S/c1-28(24,25)27-18-8-2-5-15(11-18)13-22(14-19-9-4-10-26-19)20(23)16-6-3-7-17(21)12-16/h2-12H,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.747 kcal/mol

Physical Properties
Molecular Weight: 403.43 g/mol	logS: -5.28084	SlogP: 4.1325	Reactive groups: 0

Topological Properties
Globularity: 0.0887956	Sterimol/B1: 3.59843	Sterimol/B2: 4.41062	Sterimol/B3: 5.20679
Sterimol/B4: 6.9643	Sterimol/L: 15.8884

Surface and Volume Properties
Accessible surface: 605.571	Positive charged surface: 285.157	Negative charged surface: 320.414	Volume: 347
Hydrophobic surface: 483.192	Hydrophilic surface: 122.379

Pharmacophoric Properties
Hydrogen bond donors: 0	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.