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MMsINC code: MMs00927607

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccc(NC(=O)Cc2c3c(n(CC)c2C(O)=O)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9103 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.34476	SlogP: 3.94607	Reactive groups: 0

Topological Properties
Globularity: 0.102234	Sterimol/B1: 3.72319	Sterimol/B2: 4.07011	Sterimol/B3: 4.24159
Sterimol/B4: 7.59828	Sterimol/L: 15.8533

Surface and Volume Properties
Accessible surface: 573.242	Positive charged surface: 333.749	Negative charged surface: 235.947	Volume: 314.5
Hydrophobic surface: 447.231	Hydrophilic surface: 126.011

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00927608
CHEMDIV-ZINC04116132