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MMsINC code: MMs02111049

Type: Neutral
Formula: C₁₁H₉F₃N₂O₅

SMILES:

FC(F)(F)C(=O)NC(CC(O)=O)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C11H9F3N2O5/c12-11(13,14)10(19)15-8(5-9(17)18)6-1-3-7(4-2-6)16(20)21/h1-4,8H,5H2,(H,15,19)(H,17,18)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5638 kcal/mol

Physical Properties
Molecular Weight: 306.196 g/mol	logS: -3.28199	SlogP: 2.3045	Reactive groups: 0

Topological Properties
Globularity: 0.135507	Sterimol/B1: 2.27179	Sterimol/B2: 4.32954	Sterimol/B3: 4.9207
Sterimol/B4: 5.52328	Sterimol/L: 13.8218

Surface and Volume Properties
Accessible surface: 467.794	Positive charged surface: 164.85	Negative charged surface: 302.944	Volume: 225.5
Hydrophobic surface: 154.943	Hydrophilic surface: 312.851

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

MMs02111050
KEYORGANICS-ZINC02581752