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MMsINC code: MMs02896353

Type: Ionized
Formula: C₁₈H₁₃FNO₂-

SMILES:

Fc1cc2c(nc(cc2C(=O)[O-])-c2cc(ccc2C)C)cc1

InChI:

InChI=1/C18H14FNO2/c1-10-3-4-11(2)13(7-10)17-9-15(18(21)22)14-8-12(19)5-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9672 kcal/mol

Physical Properties
Molecular Weight: 294.305 g/mol	logS: -5.84127	SlogP: 3.02124	Reactive groups: 0

Topological Properties
Globularity: 0.101862	Sterimol/B1: 2.32048	Sterimol/B2: 3.64005	Sterimol/B3: 5.28674
Sterimol/B4: 6.11236	Sterimol/L: 14.7363

Surface and Volume Properties
Accessible surface: 515.059	Positive charged surface: 247.796	Negative charged surface: 259.134	Volume: 276.125
Hydrophobic surface: 420.524	Hydrophilic surface: 94.535

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:

MMs02896352
PUBCHEM-ZINC02536670