MMsINC Database Search


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MMsINC code: MMs00739683

Type: Neutral
Formula: C₁₂H₁₀F₇NO

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)NCCc1ccccc1

InChI:

InChI=1/C12H10F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9232 kcal/mol

Physical Properties
Molecular Weight: 317.204 g/mol	logS: -4.08215	SlogP: 4.43787	Reactive groups: 1

Topological Properties
Globularity: 0.0523741	Sterimol/B1: 2.84711	Sterimol/B2: 3.57347	Sterimol/B3: 3.85464
Sterimol/B4: 3.86541	Sterimol/L: 16.0786

Surface and Volume Properties
Accessible surface: 483.637	Positive charged surface: 177.665	Negative charged surface: 305.972	Volume: 231.75
Hydrophobic surface: 249.095	Hydrophilic surface: 234.542

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.