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MMsINC code: MMs00401984

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)\C=N/NC(=O)Cc1ccc(OCCC)cc1

InChI:

InChI=1/C18H19FN2O2/c1-2-11-23-17-9-5-14(6-10-17)12-18(22)21-20-13-15-3-7-16(19)8-4-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)/b20-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.826 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.47396	SlogP: 3.30727	Reactive groups: 0

Topological Properties
Globularity: 0.0249347	Sterimol/B1: 2.81963	Sterimol/B2: 3.60916	Sterimol/B3: 3.62675
Sterimol/B4: 4.67567	Sterimol/L: 20.6524

Surface and Volume Properties
Accessible surface: 600.979	Positive charged surface: 368.266	Negative charged surface: 232.713	Volume: 304.75
Hydrophobic surface: 492.475	Hydrophilic surface: 108.504

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.