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MMsINC code: MMs00581954

Type: Ionized
Formula: C₁₆H₁₅FNO₄-

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)[O-])c(C)c(c1)C(OCC)=O

InChI:

InChI=1/C16H16FNO4/c1-3-22-16(21)13-8-14(11-4-6-12(17)7-5-11)18(10(13)2)9-15(19)20/h4-8H,3,9H2,1-2H3,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1186 kcal/mol

Physical Properties
Molecular Weight: 304.297 g/mol	logS: -3.69089	SlogP: 1.79562	Reactive groups: 0

Topological Properties
Globularity: 0.0837416	Sterimol/B1: 2.48801	Sterimol/B2: 3.28163	Sterimol/B3: 3.84325
Sterimol/B4: 8.29667	Sterimol/L: 14.5935

Surface and Volume Properties
Accessible surface: 532.424	Positive charged surface: 296.716	Negative charged surface: 235.708	Volume: 277.625
Hydrophobic surface: 399.486	Hydrophilic surface: 132.938

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00581953
CHEMBLOCK-ZINC06667813