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MMsINC code: MMs02011260

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O1CCN(CC1)CCCNC(=O)C(=O)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C19H25N3O3/c1-14-17(15-6-3-4-7-16(15)21(14)2)18(23)19(24)20-8-5-9-22-10-12-25-13-11-22/h3-4,6-7H,5,8-13H2,1-2H3,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7269 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -2.7508	SlogP: 1.86712	Reactive groups: 0

Topological Properties
Globularity: 0.0353595	Sterimol/B1: 2.026	Sterimol/B2: 3.35317	Sterimol/B3: 3.96037
Sterimol/B4: 8.54386	Sterimol/L: 19.0015

Surface and Volume Properties
Accessible surface: 640.37	Positive charged surface: 466.85	Negative charged surface: 169.585	Volume: 340.375
Hydrophobic surface: 550.545	Hydrophilic surface: 89.825

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02011261
IFLAB-ZINC04062502