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MMsINC code: MMs01974286

Type: Neutral
Formula: C₁₁H₁₁F₂NO₅

SMILES:

FC(F)Oc1ccccc1C(=O)NC(C(O)=O)CO

InChI:

InChI=1/C11H11F2NO5/c12-11(13)19-8-4-2-1-3-6(8)9(16)14-7(5-15)10(17)18/h1-4,7,11,15H,5H2,(H,14,16)(H,17,18)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5971 kcal/mol

Physical Properties
Molecular Weight: 275.207 g/mol	logS: -1.45856	SlogP: 0.8832	Reactive groups: 0

Topological Properties
Globularity: 0.0665928	Sterimol/B1: 2.55133	Sterimol/B2: 3.30184	Sterimol/B3: 3.67304
Sterimol/B4: 7.22771	Sterimol/L: 12.0009

Surface and Volume Properties
Accessible surface: 461.772	Positive charged surface: 261.226	Negative charged surface: 200.546	Volume: 221
Hydrophobic surface: 223.537	Hydrophilic surface: 238.235

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01974287
IFLAB-ZINC00119265