MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03786777

Type: Ionized
Formula: C₉H₈FO₃-

SMILES:

FC(Cc1ccc(O)cc1)C(=O)[O-]

InChI:

InChI=1/C9H9FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5H2,(H,12,13)/p-1/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6748 kcal/mol

Physical Properties
Molecular Weight: 183.158 g/mol	logS: -1.63794	SlogP: 0.44257	Reactive groups: 0

Topological Properties
Globularity: 0.0787583	Sterimol/B1: 2.45048	Sterimol/B2: 2.64464	Sterimol/B3: 3.5067
Sterimol/B4: 4.90524	Sterimol/L: 12.0594

Surface and Volume Properties
Accessible surface: 357.681	Positive charged surface: 172.642	Negative charged surface: 185.039	Volume: 159.125
Hydrophobic surface: 192.552	Hydrophilic surface: 165.129

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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:

MMs03786776
PUBCHEM-ZINC06535763