MMsINC Database Search


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MMsINC code: MMs00418232

Type: Neutral
Formula: C₂₁H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CNCC(=O)Nc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C21H19FN2O2/c22-17-8-6-16(7-9-17)14-23-15-21(25)24-18-10-12-20(13-11-18)26-19-4-2-1-3-5-19/h1-13,23H,14-15H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.327 kcal/mol

Physical Properties
Molecular Weight: 350.393 g/mol	logS: -5.1995	SlogP: 4.6127	Reactive groups: 0

Topological Properties
Globularity: 0.0439121	Sterimol/B1: 2.90843	Sterimol/B2: 2.98361	Sterimol/B3: 4.81286
Sterimol/B4: 6.3102	Sterimol/L: 20.7071

Surface and Volume Properties
Accessible surface: 645.183	Positive charged surface: 372.135	Negative charged surface: 273.048	Volume: 339.25
Hydrophobic surface: 580.312	Hydrophilic surface: 64.871

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.