MMsINC Database Search


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MMsINC code: MMs00044561

Type: Ionized
Formula: C₁₁H₆FO₃-

SMILES:

Fc1ccccc1-c1oc(cc1)C(=O)[O-]

InChI:

InChI=1/C11H7FO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4792 kcal/mol

Physical Properties
Molecular Weight: 205.164 g/mol	logS: -4.05646	SlogP: 1.4492	Reactive groups: 0

Topological Properties
Globularity: 0.0158933	Sterimol/B1: 2.18784	Sterimol/B2: 2.77431	Sterimol/B3: 2.99997
Sterimol/B4: 5.04369	Sterimol/L: 13.0077

Surface and Volume Properties
Accessible surface: 383.247	Positive charged surface: 163.024	Negative charged surface: 220.223	Volume: 176.875
Hydrophobic surface: 284.822	Hydrophilic surface: 98.425

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:

MMs00044560
APOLLO-ZINC00157137