MMsINC Database Search


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MMsINC code: MMs00288753

Type: Ionized
Formula: C₁₀H₆FO₃-

SMILES:

Fc1c2oc(C(=O)[O-])c(c2ccc1)C

InChI:

InChI=1/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6176 kcal/mol

Physical Properties
Molecular Weight: 193.153 g/mol	logS: -3.66843	SlogP: 1.24382	Reactive groups: 0

Topological Properties
Globularity: 0.0140325	Sterimol/B1: 2.37626	Sterimol/B2: 2.37629	Sterimol/B3: 2.40341
Sterimol/B4: 6.13204	Sterimol/L: 11.1828

Surface and Volume Properties
Accessible surface: 356.986	Positive charged surface: 152.872	Negative charged surface: 198.033	Volume: 162.625
Hydrophobic surface: 258.62	Hydrophilic surface: 98.366

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

search links for this molecule:

Parent related molecule:

MMs00288752
ASINEX-ZINC03440372