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MMsINC code: MMs00875955

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

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

InChI:

InChI=1/C19H17FN2O3/c1-21(13-9-7-12(20)8-10-13)17(23)11-15-14-5-3-4-6-16(14)22(2)18(15)19(24)25/h3-10H,11H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1852 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -3.91156	SlogP: 3.58027	Reactive groups: 0

Topological Properties
Globularity: 0.151434	Sterimol/B1: 3.22711	Sterimol/B2: 4.15685	Sterimol/B3: 5.25542
Sterimol/B4: 7.5048	Sterimol/L: 14.5468

Surface and Volume Properties
Accessible surface: 573.123	Positive charged surface: 351.366	Negative charged surface: 218.42	Volume: 314.5
Hydrophobic surface: 477.865	Hydrophilic surface: 95.258

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

MMs00875956
CHEMDIV-ZINC02455885