MMsINC Database Search


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MMsINC code: MMs00216380

Type: Neutral
Formula: C₁₉H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1cc(ccc1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C19H13F3N2O2/c20-19(21,22)18(26)24-15-7-3-6-14(11-15)17(25)23-16-9-8-12-4-1-2-5-13(12)10-16/h1-11H,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.414 kcal/mol

Physical Properties
Molecular Weight: 358.319 g/mol	logS: -6.51783	SlogP: 5.0128	Reactive groups: 0

Topological Properties
Globularity: 0.0150949	Sterimol/B1: 2.88178	Sterimol/B2: 3.09888	Sterimol/B3: 3.99187
Sterimol/B4: 6.19434	Sterimol/L: 18.4359

Surface and Volume Properties
Accessible surface: 584.995	Positive charged surface: 248.513	Negative charged surface: 325	Volume: 304.375
Hydrophobic surface: 387.928	Hydrophilic surface: 197.067

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.