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MMsINC code: MMs01419062

Type: Ionized
Formula: C₁₈H₁₆F₂NO₄-

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NC(CC(=O)[O-])c1ccc(cc1)C

InChI:

InChI=1/C18H17F2NO4/c1-11-2-4-12(5-3-11)15(10-16(22)23)21-17(24)13-6-8-14(9-7-13)25-18(19)20/h2-9,15,18H,10H2,1H3,(H,21,24)(H,22,23)/p-1/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0303 kcal/mol

Physical Properties
Molecular Weight: 348.325 g/mol	logS: -4.04529	SlogP: 2.72292	Reactive groups: 0

Topological Properties
Globularity: 0.0715477	Sterimol/B1: 2.20224	Sterimol/B2: 3.58997	Sterimol/B3: 3.67116
Sterimol/B4: 8.44703	Sterimol/L: 16.4036

Surface and Volume Properties
Accessible surface: 586.055	Positive charged surface: 290.528	Negative charged surface: 295.526	Volume: 310.375
Hydrophobic surface: 378.662	Hydrophilic surface: 207.393

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs01419061
ENAMINE-ZINC03399303