MMsINC Database Search


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MMsINC code: MMs01276052

Type: Neutral
Formula: C₂₂H₁₉F₂NO₃

SMILES:

FC(F)Oc1c(cccc1OC)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H19F2NO3/c1-27-18-14-8-13-17(20(18)28-22(23)24)21(26)25-19(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,19,22H,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.805 kcal/mol

Physical Properties
Molecular Weight: 383.394 g/mol	logS: -5.25144	SlogP: 5.3314	Reactive groups: 0

Topological Properties
Globularity: 0.119062	Sterimol/B1: 3.76443	Sterimol/B2: 4.64638	Sterimol/B3: 4.90407
Sterimol/B4: 6.38656	Sterimol/L: 16.1306

Surface and Volume Properties
Accessible surface: 618.801	Positive charged surface: 365.961	Negative charged surface: 252.839	Volume: 355.5
Hydrophobic surface: 532.755	Hydrophilic surface: 86.046

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.