MMsINC Database Search


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

MMsINC code: MMs01209956

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂S

SMILES:

S1CC(=O)N(C(C(=O)N(C)C)c2ccccc2)C1c1ccc(F)cc1

InChI:

InChI=1/C19H19FN2O2S/c1-21(2)18(24)17(13-6-4-3-5-7-13)22-16(23)12-25-19(22)14-8-10-15(20)11-9-14/h3-11,17,19H,12H2,1-2H3/t17-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1241 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -4.57593	SlogP: 3.4202	Reactive groups: 0

Topological Properties
Globularity: 0.225469	Sterimol/B1: 2.31228	Sterimol/B2: 3.22237	Sterimol/B3: 4.67814
Sterimol/B4: 9.20163	Sterimol/L: 14.7372

Surface and Volume Properties
Accessible surface: 558.687	Positive charged surface: 344.099	Negative charged surface: 214.588	Volume: 330.75
Hydrophobic surface: 488.625	Hydrophilic surface: 70.062

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.