MMsINC Database Search


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MMsINC code: MMs01678301

Type: Neutral
Formula: C₂₀H₁₅FN₄O₂

SMILES:

Fc1ccc(NC(=O)COc2ncc(cc2)-c2[nH]c3c(n2)cccc3)cc1

InChI:

InChI=1/C20H15FN4O2/c21-14-6-8-15(9-7-14)23-18(26)12-27-19-10-5-13(11-22-19)20-24-16-3-1-2-4-17(16)25-20/h1-11H,12H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.648 kcal/mol

Physical Properties
Molecular Weight: 362.364 g/mol	logS: -5.88515	SlogP: 3.7815	Reactive groups: 0

Topological Properties
Globularity: 0.00494707	Sterimol/B1: 2.55707	Sterimol/B2: 2.75266	Sterimol/B3: 3.08286
Sterimol/B4: 5.44404	Sterimol/L: 22.5445

Surface and Volume Properties
Accessible surface: 644.837	Positive charged surface: 370.041	Negative charged surface: 274.796	Volume: 327.625
Hydrophobic surface: 538.953	Hydrophilic surface: 105.884

Pharmacophoric Properties
Hydrogen bond donors: 3	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.