MMsINC Database Search


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MMsINC code: MMs02082851

Type: Neutral
Formula: C₉H₈F₂N₂O₂

SMILES:

Fc1ccc(F)cc1NC(=O)C(=O)NC

InChI:

InChI=1/C9H8F2N2O2/c1-12-8(14)9(15)13-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.521 kcal/mol

Physical Properties
Molecular Weight: 214.171 g/mol	logS: -2.3495	SlogP: 0.6493	Reactive groups: 0

Topological Properties
Globularity: 0.0182202	Sterimol/B1: 2.25314	Sterimol/B2: 2.57227	Sterimol/B3: 4.07708
Sterimol/B4: 4.16624	Sterimol/L: 13.4357

Surface and Volume Properties
Accessible surface: 383.789	Positive charged surface: 224.709	Negative charged surface: 159.08	Volume: 173.875
Hydrophobic surface: 284.776	Hydrophilic surface: 99.013

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.