MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02700685

Type: Neutral
Formula: C₁₉H₂₆N₄O₄

SMILES:

O(C)c1cc2c(ncnc2N2CCN(CC2)C(OCC(C)C)=O)cc1OC

InChI:

InChI=1/C19H26N4O4/c1-13(2)11-27-19(24)23-7-5-22(6-8-23)18-14-9-16(25-3)17(26-4)10-15(14)20-12-21-18/h9-10,12-13H,5-8,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.343 kcal/mol

Physical Properties
Molecular Weight: 374.441 g/mol	logS: -3.49684	SlogP: 2.5616	Reactive groups: 0

Topological Properties
Globularity: 0.0578598	Sterimol/B1: 3.36241	Sterimol/B2: 4.94131	Sterimol/B3: 5.5811
Sterimol/B4: 6.09431	Sterimol/L: 20.268

Surface and Volume Properties
Accessible surface: 662.597	Positive charged surface: 540.296	Negative charged surface: 118.097	Volume: 360.5
Hydrophobic surface: 498.05	Hydrophilic surface: 164.547

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.