MMsINC Database Search


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MMsINC code: MMs02570339

Type: Neutral
Formula: C₂₁H₁₉FN₂O₂

SMILES:

Fc1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1

InChI:

InChI=1/C21H19FN2O2/c22-17-6-8-19(9-7-17)24-21(25)14-23-18-10-12-20(13-11-18)26-15-16-4-2-1-3-5-16/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)=110.522 kcal/mol

Physical Properties
Molecular Weight: 350.393 g/mol	logS: -5.29103	SlogP: 4.7217	Reactive groups: 0

Topological Properties
Globularity: 0.0202544	Sterimol/B1: 3.51439	Sterimol/B2: 3.62106	Sterimol/B3: 3.8069
Sterimol/B4: 4.62779	Sterimol/L: 22.9706

Surface and Volume Properties
Accessible surface: 647.959	Positive charged surface: 363.724	Negative charged surface: 284.235	Volume: 338
Hydrophobic surface: 575.867	Hydrophilic surface: 72.092

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.