MMsINC Database Search


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

MMsINC code: MMs00839559

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1cc(ccc1F)C)c1ccc(cc1)C

InChI:

InChI=1/C15H15FN2O3S/c1-10-3-6-12(7-4-10)22(20,21)18-15(19)17-14-9-11(2)5-8-13(14)16/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.3535 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -4.71796	SlogP: 2.95294	Reactive groups: 0

Topological Properties
Globularity: 0.151703	Sterimol/B1: 2.35138	Sterimol/B2: 3.52619	Sterimol/B3: 5.25361
Sterimol/B4: 7.73433	Sterimol/L: 13.8182

Surface and Volume Properties
Accessible surface: 542.771	Positive charged surface: 288.879	Negative charged surface: 253.891	Volume: 279.25
Hydrophobic surface: 427.225	Hydrophilic surface: 115.546

Pharmacophoric Properties
Hydrogen bond donors: 2	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.