MMsINC Database Search


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

MMsINC code: MMs00963230

Type: Neutral
Formula: C₂₆H₂₆N₄

SMILES:

n1nc(N2CCC(CC2)Cc2ccccc2)c2c(cccc2)c1Cc1cccnc1

InChI:

InChI=1/C26H26N4/c1-2-7-20(8-3-1)17-21-12-15-30(16-13-21)26-24-11-5-4-10-23(24)25(28-29-26)18-22-9-6-14-27-19-22/h1-11,14,19,21H,12-13,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.07 kcal/mol

Physical Properties
Molecular Weight: 394.522 g/mol	logS: -5.70535	SlogP: 5.07464	Reactive groups: 0

Topological Properties
Globularity: 0.0882552	Sterimol/B1: 3.4506	Sterimol/B2: 3.64744	Sterimol/B3: 4.89538
Sterimol/B4: 7.84637	Sterimol/L: 17.3727

Surface and Volume Properties
Accessible surface: 684.026	Positive charged surface: 449.173	Negative charged surface: 227.681	Volume: 401.75
Hydrophobic surface: 633.454	Hydrophilic surface: 50.572

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.