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MMsINC code: MMs01937355

Type: Neutral
Formula: C₁₉H₂₄N₆O

SMILES:

O1CCN(CC1)CCNc1ncnc2n(c(C)c(c12)C)-c1ncccc1

InChI:

InChI=1/C19H24N6O/c1-14-15(2)25(16-5-3-4-6-20-16)19-17(14)18(22-13-23-19)21-7-8-24-9-11-26-12-10-24/h3-6,13H,7-12H2,1-2H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.801 kcal/mol

Physical Properties
Molecular Weight: 352.442 g/mol	logS: -3.35664	SlogP: 2.17644	Reactive groups: 0

Topological Properties
Globularity: 0.0187755	Sterimol/B1: 2.23353	Sterimol/B2: 3.12463	Sterimol/B3: 3.15575
Sterimol/B4: 7.83467	Sterimol/L: 19.5219

Surface and Volume Properties
Accessible surface: 626.583	Positive charged surface: 494.039	Negative charged surface: 126.738	Volume: 348
Hydrophobic surface: 539.174	Hydrophilic surface: 87.409

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01937356
IBS-ZINC05303295