MMsINC Database Search


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MMsINC code: MMs01208156

Type: Neutral
Formula: C₂₂H₁₇FN₂O₃

SMILES:

Fc1ccc(NC(=O)COc2ccccc2-c2oc3c(n2)cc(cc3)C)cc1

InChI:

InChI=1/C22H17FN2O3/c1-14-6-11-20-18(12-14)25-22(28-20)17-4-2-3-5-19(17)27-13-21(26)24-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.664 kcal/mol

Physical Properties
Molecular Weight: 376.387 g/mol	logS: -7.51626	SlogP: 4.95982	Reactive groups: 0

Topological Properties
Globularity: 0.0133616	Sterimol/B1: 2.41096	Sterimol/B2: 2.6105	Sterimol/B3: 2.90561
Sterimol/B4: 11.2067	Sterimol/L: 17.2257

Surface and Volume Properties
Accessible surface: 650.403	Positive charged surface: 371.404	Negative charged surface: 278.998	Volume: 348
Hydrophobic surface: 578.539	Hydrophilic surface: 71.864

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.