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MMsINC code: MMs01935278

Type: Neutral
Formula: C₁₆H₁₉FN₂O₂

SMILES:

Fc1cc2c([nH]cc2C(=O)CN2CC(OC(C2)C)C)cc1

InChI:

InChI=1/C16H19FN2O2/c1-10-7-19(8-11(2)21-10)9-16(20)14-6-18-15-4-3-12(17)5-13(14)15/h3-6,10-11,18H,7-9H2,1-2H3/t10-,11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5527 kcal/mol

Physical Properties
Molecular Weight: 290.338 g/mol	logS: -3.11846	SlogP: 2.5989	Reactive groups: 0

Topological Properties
Globularity: 0.0477109	Sterimol/B1: 2.65044	Sterimol/B2: 2.74272	Sterimol/B3: 4.09181
Sterimol/B4: 6.3125	Sterimol/L: 16.1758

Surface and Volume Properties
Accessible surface: 534.339	Positive charged surface: 337.885	Negative charged surface: 191.086	Volume: 278.5
Hydrophobic surface: 411.348	Hydrophilic surface: 122.991

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.