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MMsINC code: MMs01349315

Type: Neutral
Formula: C₂₂H₁₇F₂NO₅

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C22H17F2NO5/c23-22(24)30-19-13-7-5-11-17(19)25-20(26)14-28-21(27)16-10-4-6-12-18(16)29-15-8-2-1-3-9-15/h1-13,22H,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.36 kcal/mol

Physical Properties
Molecular Weight: 413.376 g/mol	logS: -5.68	SlogP: 5.2957	Reactive groups: 0

Topological Properties
Globularity: 0.0256224	Sterimol/B1: 3.354	Sterimol/B2: 3.56195	Sterimol/B3: 3.66722
Sterimol/B4: 7.67488	Sterimol/L: 20.1735

Surface and Volume Properties
Accessible surface: 684.098	Positive charged surface: 377.558	Negative charged surface: 306.54	Volume: 362.5
Hydrophobic surface: 524.558	Hydrophilic surface: 159.54

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.