MMsINC Database Search


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MMsINC code: MMs02520934

Type: Ionized
Formula: C₁₃H₉F₂N₂O₂-

SMILES:

Fc1cc(Nc2ccc(cc2N)C(=O)[O-])ccc1F

InChI:

InChI=1/C13H10F2N2O2/c14-9-3-2-8(6-10(9)15)17-12-4-1-7(13(18)19)5-11(12)16/h1-6,17H,16H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2797 kcal/mol

Physical Properties
Molecular Weight: 263.223 g/mol	logS: -3.54589	SlogP: 1.6541	Reactive groups: 0

Topological Properties
Globularity: 0.0442721	Sterimol/B1: 2.24069	Sterimol/B2: 2.74025	Sterimol/B3: 3.45941
Sterimol/B4: 5.91937	Sterimol/L: 14.6549

Surface and Volume Properties
Accessible surface: 449.375	Positive charged surface: 210.979	Negative charged surface: 238.395	Volume: 221.625
Hydrophobic surface: 294.642	Hydrophilic surface: 154.733

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs02520933
NIH-ZINC00266537