MMsINC Database Search


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MMsINC code: MMs01978064

Type: Neutral
Formula: C₁₅H₁₁F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C15H11F3N2O2/c16-15(17,18)14(22)20-12-9-5-4-8-11(12)13(21)19-10-6-2-1-3-7-10/h1-9H,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.633 kcal/mol

Physical Properties
Molecular Weight: 308.259 g/mol	logS: -4.63995	SlogP: 3.8596	Reactive groups: 0

Topological Properties
Globularity: 0.0263442	Sterimol/B1: 2.5978	Sterimol/B2: 2.79965	Sterimol/B3: 4.30333
Sterimol/B4: 6.65937	Sterimol/L: 13.4864

Surface and Volume Properties
Accessible surface: 510.645	Positive charged surface: 222.327	Negative charged surface: 288.318	Volume: 257.125
Hydrophobic surface: 337.238	Hydrophilic surface: 173.407

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.