MMsINC Database Search


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MMsINC code: MMs00328772

Type: Ionized
Formula: C₁₁H₇FNO₃-

SMILES:

Fc1ccccc1-c1noc(C)c1C(=O)[O-]

InChI:

InChI=1/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1753 kcal/mol

Physical Properties
Molecular Weight: 220.179 g/mol	logS: -3.26463	SlogP: 1.15262	Reactive groups: 0

Topological Properties
Globularity: 0.0657331	Sterimol/B1: 2.78941	Sterimol/B2: 3.46299	Sterimol/B3: 3.67113
Sterimol/B4: 4.14459	Sterimol/L: 12.4814

Surface and Volume Properties
Accessible surface: 391.007	Positive charged surface: 169.76	Negative charged surface: 221.247	Volume: 186
Hydrophobic surface: 291	Hydrophilic surface: 100.007

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

search links for this molecule:

Parent related molecule:

MMs00328771
ASINEX-ZINC04384202