MMsINC Database Search


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MMsINC code: MMs01807484

Type: Neutral
Formula: C₂₃H₁₉FN₄O

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc2nc3n(CCN(C3)c3ccccc3)c2cc1

InChI:

InChI=1/C23H19FN4O/c24-17-8-6-16(7-9-17)23(29)25-18-10-11-21-20(14-18)26-22-15-27(12-13-28(21)22)19-4-2-1-3-5-19/h1-11,14H,12-13,15H2,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.547 kcal/mol

Physical Properties
Molecular Weight: 386.43 g/mol	logS: -5.63953	SlogP: 4.9807	Reactive groups: 0

Topological Properties
Globularity: 0.00968123	Sterimol/B1: 2.79928	Sterimol/B2: 3.23559	Sterimol/B3: 3.39857
Sterimol/B4: 5.84665	Sterimol/L: 22.1828

Surface and Volume Properties
Accessible surface: 647.882	Positive charged surface: 366.651	Negative charged surface: 281.231	Volume: 362.5
Hydrophobic surface: 573.013	Hydrophilic surface: 74.869

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.