MMsINC Database Search


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MMsINC code: MMs00055385

Type: Neutral
Formula: C₇H₆F₂N₂O

SMILES:

Fc1ccc(F)cc1C(=O)NN

InChI:

InChI=1/C7H6F2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5081 kcal/mol

Physical Properties
Molecular Weight: 172.134 g/mol	logS: -2.20689	SlogP: 0.5683	Reactive groups: 0

Topological Properties
Globularity: 0.00454848	Sterimol/B1: 2.097	Sterimol/B2: 2.19758	Sterimol/B3: 3.79768
Sterimol/B4: 4.45062	Sterimol/L: 10.9346

Surface and Volume Properties
Accessible surface: 323.692	Positive charged surface: 163.905	Negative charged surface: 159.787	Volume: 137
Hydrophobic surface: 198.726	Hydrophilic surface: 124.966

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.