MMsINC Database Search


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MMsINC code: MMs01393310

Type: Ionized
Formula: C₁₀H₆FN₂O₂-

SMILES:

Fc1ccc(-n2cncc2C(=O)[O-])cc1

InChI:

InChI=1/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.9447 kcal/mol

Physical Properties
Molecular Weight: 205.168 g/mol	logS: -2.38472	SlogP: 0.3749	Reactive groups: 0

Topological Properties
Globularity: 0.0296574	Sterimol/B1: 2.62923	Sterimol/B2: 2.916	Sterimol/B3: 2.97764
Sterimol/B4: 5.45068	Sterimol/L: 11.6802

Surface and Volume Properties
Accessible surface: 365.021	Positive charged surface: 171.547	Negative charged surface: 193.474	Volume: 175.375
Hydrophobic surface: 260.457	Hydrophilic surface: 104.564

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:

MMs01393309
ENAMINE-ZINC03356938