MMsINC Database Search


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MMsINC code: MMs01974283

Type: Ionized
Formula: C₁₁H₁₀F₂NO₄-

SMILES:

FC(F)Oc1ccccc1C(=O)NC(C(=O)[O-])C

InChI:

InChI=1/C11H11F2NO4/c1-6(10(16)17)14-9(15)7-4-2-3-5-8(7)18-11(12)13/h2-6,11H,1H3,(H,14,15)(H,16,17)/p-1/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3875 kcal/mol

Physical Properties
Molecular Weight: 258.2 g/mol	logS: -2.24876	SlogP: 0.5761	Reactive groups: 0

Topological Properties
Globularity: 0.0832897	Sterimol/B1: 2.0953	Sterimol/B2: 4.29194	Sterimol/B3: 4.41782
Sterimol/B4: 5.44005	Sterimol/L: 12.4458

Surface and Volume Properties
Accessible surface: 435.691	Positive charged surface: 211.135	Negative charged surface: 224.556	Volume: 212.75
Hydrophobic surface: 226.432	Hydrophilic surface: 209.259

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

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Parent related molecule:

MMs01974282
IFLAB-ZINC00119260