MMsINC Database Search


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

MMsINC code: MMs00073116

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1F)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C14H12F2N2O3S/c1-9(19)17-11-3-5-12(6-4-11)22(20,21)18-14-7-2-10(15)8-13(14)16/h2-8,18H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3099 kcal/mol

Physical Properties
Molecular Weight: 326.323 g/mol	logS: -3.84613	SlogP: 2.724	Reactive groups: 0

Topological Properties
Globularity: 0.115771	Sterimol/B1: 3.93153	Sterimol/B2: 4.03078	Sterimol/B3: 4.08928
Sterimol/B4: 6.45832	Sterimol/L: 14.1347

Surface and Volume Properties
Accessible surface: 510.733	Positive charged surface: 245.494	Negative charged surface: 265.239	Volume: 265.25
Hydrophobic surface: 378.027	Hydrophilic surface: 132.706

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.