MMsINC Database Search


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MMsINC code: MMs03381923

Type: Neutral
Formula: C₁₁H₈F₆N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1CNC(=O)C(F)(F)F

InChI:

InChI=1/C11H8F6N2O2/c12-10(13,14)8(20)18-5-6-3-1-2-4-7(6)19-9(21)11(15,16)17/h1-4H,5H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.911 kcal/mol

Physical Properties
Molecular Weight: 314.185 g/mol	logS: -3.89908	SlogP: 3.4721	Reactive groups: 0

Topological Properties
Globularity: 0.124992	Sterimol/B1: 2.53869	Sterimol/B2: 3.10253	Sterimol/B3: 3.30072
Sterimol/B4: 8.68007	Sterimol/L: 12.008

Surface and Volume Properties
Accessible surface: 470.435	Positive charged surface: 146.195	Negative charged surface: 324.239	Volume: 223.375
Hydrophobic surface: 169.264	Hydrophilic surface: 301.171

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.