MMsINC Database Search


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

MMsINC code: MMs00999904

Type: Neutral
Formula: C₂₆H₂₆N₄O

SMILES:

O(C)c1ccc(N2CCN(CC2)c2nc(nc3c2cccc3)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C26H26N4O/c1-19-7-9-20(10-8-19)25-27-24-6-4-3-5-23(24)26(28-25)30-17-15-29(16-18-30)21-11-13-22(31-2)14-12-21/h3-14H,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=212.307 kcal/mol

Physical Properties
Molecular Weight: 410.521 g/mol	logS: -7.45364	SlogP: 4.94042	Reactive groups: 0

Topological Properties
Globularity: 0.0426993	Sterimol/B1: 2.32589	Sterimol/B2: 3.22591	Sterimol/B3: 3.99207
Sterimol/B4: 11.6848	Sterimol/L: 20.5955

Surface and Volume Properties
Accessible surface: 714.114	Positive charged surface: 474.316	Negative charged surface: 231.462	Volume: 411.375
Hydrophobic surface: 657.529	Hydrophilic surface: 56.585

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: 0	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.