MMsINC Database Search


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MMsINC code: MMs02246918

Type: Neutral
Formula: C₈H₈F₂N₂O

SMILES:

Fc1cc(N)cc(F)c1NC(=O)C

InChI:

InChI=1/C8H8F2N2O/c1-4(13)12-8-6(9)2-5(11)3-7(8)10/h2-3H,11H2,1H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4047 kcal/mol

Physical Properties
Molecular Weight: 186.161 g/mol	logS: -1.90517	SlogP: 1.5054	Reactive groups: 0

Topological Properties
Globularity: 0.0476127	Sterimol/B1: 3.03339	Sterimol/B2: 3.10349	Sterimol/B3: 3.79748
Sterimol/B4: 3.94124	Sterimol/L: 11.7857

Surface and Volume Properties
Accessible surface: 359.4	Positive charged surface: 198.728	Negative charged surface: 160.672	Volume: 157.5
Hydrophobic surface: 245.975	Hydrophilic surface: 113.425

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.