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MMsINC code: MMs02846161

Type: Ionized
Formula: C₁₉H₁₃FNO₅-

SMILES:

Fc1cc(ccc1)C(=O)n1c2c(cc3OCOc3c2)c(CC(=O)[O-])c1C

InChI:

InChI=1/C19H14FNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-3-2-4-12(20)5-11/h2-6,8H,7,9H2,1H3,(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1674 kcal/mol

Physical Properties
Molecular Weight: 354.313 g/mol	logS: -4.57879	SlogP: 1.79839	Reactive groups: 0

Topological Properties
Globularity: 0.0985752	Sterimol/B1: 2.00454	Sterimol/B2: 3.38526	Sterimol/B3: 4.09037
Sterimol/B4: 10.0637	Sterimol/L: 14.3121

Surface and Volume Properties
Accessible surface: 548.935	Positive charged surface: 282.084	Negative charged surface: 261.59	Volume: 304.375
Hydrophobic surface: 386.977	Hydrophilic surface: 161.958

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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:

MMs02846160
PUBCHEM-ZINC02005852