MMsINC Database Search


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MMsINC code: MMs01384485

Type: Neutral
Formula: C₁₅H₁₂F₂N₂O₃

SMILES:

FC(F)Oc1ccccc1\C=N\NC(=O)c1ccc(O)cc1

InChI:

InChI=1/C15H12F2N2O3/c16-15(17)22-13-4-2-1-3-11(13)9-18-19-14(21)10-5-7-12(20)8-6-10/h1-9,15,20H,(H,19,21)/b18-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3746 kcal/mol

Physical Properties
Molecular Weight: 306.268 g/mol	logS: -3.31045	SlogP: 3.1774	Reactive groups: 0

Topological Properties
Globularity: 0.00538132	Sterimol/B1: 2.62949	Sterimol/B2: 2.64746	Sterimol/B3: 2.74848
Sterimol/B4: 6.71817	Sterimol/L: 17.109

Surface and Volume Properties
Accessible surface: 529.789	Positive charged surface: 283.126	Negative charged surface: 246.663	Volume: 262.875
Hydrophobic surface: 335.301	Hydrophilic surface: 194.488

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.