MMsINC Database Search


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

MMsINC code: MMs02686072

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1F)c1ccccc1)C

InChI:

InChI=1/C15H15FN2O3S/c1-22(20,21)18(12-7-3-2-4-8-12)11-15(19)17-14-10-6-5-9-13(14)16/h2-10H,11H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7341 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -3.58985	SlogP: 2.2304	Reactive groups: 0

Topological Properties
Globularity: 0.118661	Sterimol/B1: 2.25799	Sterimol/B2: 3.47609	Sterimol/B3: 4.56859
Sterimol/B4: 8.21568	Sterimol/L: 13.6693

Surface and Volume Properties
Accessible surface: 530.467	Positive charged surface: 282.226	Negative charged surface: 248.242	Volume: 281.75
Hydrophobic surface: 445.754	Hydrophilic surface: 84.713

Pharmacophoric Properties
Hydrogen bond donors: 1	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.