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MMsINC code: MMs03455879

Type: Neutral
Formula: C₁₄H₉FINO₃

SMILES:

Ic1ccc(NC(=O)c2ccccc2F)cc1C(O)=O

InChI:

InChI=1/C14H9FINO3/c15-11-4-2-1-3-9(11)13(18)17-8-5-6-12(16)10(7-8)14(19)20/h1-7H,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0701 kcal/mol

Physical Properties
Molecular Weight: 385.132 g/mol	logS: -4.61077	SlogP: 3.3808	Reactive groups: 0

Topological Properties
Globularity: 0.0214784	Sterimol/B1: 2.097	Sterimol/B2: 3.24164	Sterimol/B3: 3.48307
Sterimol/B4: 5.83544	Sterimol/L: 16.1212

Surface and Volume Properties
Accessible surface: 496.242	Positive charged surface: 219.681	Negative charged surface: 276.561	Volume: 258.75
Hydrophobic surface: 381.515	Hydrophilic surface: 114.727

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

MMs03455880
PUBCHEM-ZINC05945862