MMsINC Database Search


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MMsINC code: MMs01974287

Type: Ionized
Formula: C₁₁H₁₀F₂NO₅-

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)/p-1/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5316 kcal/mol

Physical Properties
Molecular Weight: 274.199 g/mol	logS: -1.71901	SlogP: -0.4515	Reactive groups: 0

Topological Properties
Globularity: 0.080425	Sterimol/B1: 2.56123	Sterimol/B2: 3.32594	Sterimol/B3: 4.09996
Sterimol/B4: 7.33395	Sterimol/L: 11.7849

Surface and Volume Properties
Accessible surface: 450.719	Positive charged surface: 219.271	Negative charged surface: 231.448	Volume: 217.875
Hydrophobic surface: 223.077	Hydrophilic surface: 227.642

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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:

MMs01974286
IFLAB-ZINC00119265