MMsINC Database Search


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MMsINC code: MMs02609421

Type: Neutral
Formula: C₁₅H₉F₄NO

SMILES:

Fc1c(F)c(F)c2N(CCc2c1F)C(=O)c1ccccc1

InChI:

InChI=1/C15H9F4NO/c16-10-9-6-7-20(14(9)13(19)12(18)11(10)17)15(21)8-4-2-1-3-5-8/h1-5H,6-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.226 kcal/mol

Physical Properties
Molecular Weight: 295.235 g/mol	logS: -4.61267	SlogP: 3.44587	Reactive groups: 0

Topological Properties
Globularity: 0.0112747	Sterimol/B1: 2.33436	Sterimol/B2: 2.5315	Sterimol/B3: 3.9219
Sterimol/B4: 4.52128	Sterimol/L: 14.5639

Surface and Volume Properties
Accessible surface: 449.776	Positive charged surface: 221.714	Negative charged surface: 228.062	Volume: 235
Hydrophobic surface: 423.96	Hydrophilic surface: 25.816

Pharmacophoric Properties
Hydrogen bond donors: 0	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.