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MMsINC code: MMs00931804

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃

SMILES:

Fc1ccc(N(C(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)CC)cc1

InChI:

InChI=1/C20H19FN2O3/c1-3-23(14-10-8-13(21)9-11-14)18(24)12-16-15-6-4-5-7-17(15)22(2)19(16)20(25)26/h4-11H,3,12H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5133 kcal/mol

Physical Properties
Molecular Weight: 354.381 g/mol	logS: -4.23877	SlogP: 3.97037	Reactive groups: 0

Topological Properties
Globularity: 0.189716	Sterimol/B1: 2.54367	Sterimol/B2: 4.49186	Sterimol/B3: 7.03136
Sterimol/B4: 7.11441	Sterimol/L: 14.5637

Surface and Volume Properties
Accessible surface: 587.396	Positive charged surface: 350.34	Negative charged surface: 233.468	Volume: 331.625
Hydrophobic surface: 477.165	Hydrophilic surface: 110.231

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00931805
CHEMDIV-ZINC04192569