MMsINC Database Search


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MMsINC code: MMs03106196

Type: Neutral
Formula: C₁₉H₁₂F₂N₄O₂

SMILES:

Fc1cc(cc(F)c1)C1=Nc2c(nc(OC)nc2)N(C1=O)c1ccccc1

InChI:

InChI=1/C19H12F2N4O2/c1-27-19-22-10-15-17(24-19)25(14-5-3-2-4-6-14)18(26)16(23-15)11-7-12(20)9-13(21)8-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.688 kcal/mol

Physical Properties
Molecular Weight: 366.327 g/mol	logS: -6.13342	SlogP: 3.5625	Reactive groups: 0

Topological Properties
Globularity: 0.0595868	Sterimol/B1: 2.0579	Sterimol/B2: 3.36875	Sterimol/B3: 3.64878
Sterimol/B4: 9.80807	Sterimol/L: 15.8976

Surface and Volume Properties
Accessible surface: 587.521	Positive charged surface: 357.014	Negative charged surface: 230.507	Volume: 315.875
Hydrophobic surface: 517.813	Hydrophilic surface: 69.708

Pharmacophoric Properties
Hydrogen bond donors: 0	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.