MMsINC Database Search


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

MMsINC code: MMs00896433

Type: Neutral
Formula: C₂₀H₂₄N₄O₂

SMILES:

O=C1N=C2N(N(c3c2cccc3)CC(=O)NC2CCCCCC2)C(=C1)C

InChI:

InChI=1/C20H24N4O2/c1-14-12-18(25)22-20-16-10-6-7-11-17(16)23(24(14)20)13-19(26)21-15-8-4-2-3-5-9-15/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H,21,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.365 kcal/mol

Physical Properties
Molecular Weight: 352.438 g/mol	logS: -4.74483	SlogP: 2.7532	Reactive groups: 0

Topological Properties
Globularity: 0.102774	Sterimol/B1: 2.69122	Sterimol/B2: 3.14811	Sterimol/B3: 4.57879
Sterimol/B4: 9.02689	Sterimol/L: 15.1022

Surface and Volume Properties
Accessible surface: 595.984	Positive charged surface: 378.369	Negative charged surface: 217.615	Volume: 341.375
Hydrophobic surface: 480.982	Hydrophilic surface: 115.002

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.