MMsINC Database Search


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MMsINC code: MMs00669458

Type: Neutral
Formula: C₂₂H₁₉FN₂O₄

SMILES:

Fc1ccccc1C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC

InChI:

InChI=1/C22H19FN2O4/c1-28-19-13-18(25-22(27)15-10-6-7-11-16(15)23)20(29-2)12-17(19)24-21(26)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.782 kcal/mol

Physical Properties
Molecular Weight: 394.402 g/mol	logS: -5.7206	SlogP: 4.3475	Reactive groups: 0

Topological Properties
Globularity: 0.0200195	Sterimol/B1: 2.44714	Sterimol/B2: 2.51853	Sterimol/B3: 3.32863
Sterimol/B4: 9.70576	Sterimol/L: 20.6408

Surface and Volume Properties
Accessible surface: 654.505	Positive charged surface: 418.846	Negative charged surface: 235.659	Volume: 363.5
Hydrophobic surface: 585.141	Hydrophilic surface: 69.364

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.