MMsINC Database Search


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MMsINC code: MMs00770925

Type: Neutral
Formula: C₁₃H₁₀F₂N₂O

SMILES:

Fc1ccccc1NC(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C13H10F2N2O/c14-9-4-3-5-10(8-9)16-13(18)17-12-7-2-1-6-11(12)15/h1-8H,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5488 kcal/mol

Physical Properties
Molecular Weight: 248.232 g/mol	logS: -3.84201	SlogP: 3.6088	Reactive groups: 0

Topological Properties
Globularity: 0.0136915	Sterimol/B1: 2.42744	Sterimol/B2: 2.55245	Sterimol/B3: 2.78436
Sterimol/B4: 5.60397	Sterimol/L: 14.405

Surface and Volume Properties
Accessible surface: 446.826	Positive charged surface: 227.918	Negative charged surface: 218.907	Volume: 217.75
Hydrophobic surface: 388.352	Hydrophilic surface: 58.474

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.