MMsINC Database Search


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MMsINC code: MMs01732212

Type: Neutral
Formula: C₁₁H₁₁F₆N₃O

SMILES:

FC(F)(F)C(NC(=O)Nc1ncccc1C)(C(F)(F)F)C

InChI:

InChI=1/C11H11F6N3O/c1-6-4-3-5-18-7(6)19-8(21)20-9(2,10(12,13)14)11(15,16)17/h3-5H,1-2H3,(H2,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0221 kcal/mol

Physical Properties
Molecular Weight: 315.217 g/mol	logS: -3.13497	SlogP: 4.23462	Reactive groups: 0

Topological Properties
Globularity: 0.0716101	Sterimol/B1: 1.969	Sterimol/B2: 3.59522	Sterimol/B3: 3.86123
Sterimol/B4: 6.78855	Sterimol/L: 13.5052

Surface and Volume Properties
Accessible surface: 464.876	Positive charged surface: 217.696	Negative charged surface: 247.18	Volume: 231.375
Hydrophobic surface: 237.192	Hydrophilic surface: 227.684

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.