MMsINC Database Search


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MMsINC code: MMs02862754

Type: Ionized
Formula: C₉H₈FO₂-

SMILES:

FC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C9H9FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/p-1/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6879 kcal/mol

Physical Properties
Molecular Weight: 167.159 g/mol	logS: -1.99989	SlogP: 0.73697	Reactive groups: 0

Topological Properties
Globularity: 0.0873306	Sterimol/B1: 2.94129	Sterimol/B2: 3.28618	Sterimol/B3: 3.61944
Sterimol/B4: 3.77526	Sterimol/L: 11.5766

Surface and Volume Properties
Accessible surface: 347.323	Positive charged surface: 164.467	Negative charged surface: 182.855	Volume: 155
Hydrophobic surface: 233.115	Hydrophilic surface: 114.208

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs02862753
PUBCHEM-ZINC02040588