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MMsINC code: MMs01251962

Type: Neutral
Formula: C₈H₄ClF₂O₃-

SMILES:

ClC(F)(F)Oc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C8H5ClF2O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.65 kcal/mol

Physical Properties
Molecular Weight: 221.566 g/mol	logS: -3.24565	SlogP: 1.6379	Reactive groups: 0

Topological Properties
Globularity: 0.0209826	Sterimol/B1: 2.5939	Sterimol/B2: 2.59438	Sterimol/B3: 2.77622
Sterimol/B4: 4.87863	Sterimol/L: 12.829

Surface and Volume Properties
Accessible surface: 364.267	Positive charged surface: 94.5276	Negative charged surface: 269.739	Volume: 161
Hydrophobic surface: 137.987	Hydrophilic surface: 226.28

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 0

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

MMs01251963
ENAMINE-ZINC02568736