MMsINC Database Search


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

MMsINC code: MMs02047833

Type: Neutral
Formula: C₂₀H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)N(Cc1occc1)c1ccc(F)cc1

InChI:

InChI=1/C20H19FN2O4S/c1-22(2)28(25,26)19-7-3-5-15(13-19)20(24)23(14-18-6-4-12-27-18)17-10-8-16(21)9-11-17/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.236 kcal/mol

Physical Properties
Molecular Weight: 402.446 g/mol	logS: -4.97689	SlogP: 3.7824	Reactive groups: 0

Topological Properties
Globularity: 0.0732425	Sterimol/B1: 2.99023	Sterimol/B2: 3.36244	Sterimol/B3: 4.47966
Sterimol/B4: 7.96309	Sterimol/L: 15.898

Surface and Volume Properties
Accessible surface: 622.184	Positive charged surface: 342.628	Negative charged surface: 279.556	Volume: 353.25
Hydrophobic surface: 529.562	Hydrophilic surface: 92.622

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.