MMsINC Database Search


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

MMsINC code: MMs02610283

Type: Neutral
Formula: C₂₆H₂₄N₄

SMILES:

n1c(cc(nc1C)N1CCc2c(C1)cccc2)-c1cc(cnc1)-c1ccc(cc1)C

InChI:

InChI=1/C26H24N4/c1-18-7-9-21(10-8-18)23-13-24(16-27-15-23)25-14-26(29-19(2)28-25)30-12-11-20-5-3-4-6-22(20)17-30/h3-10,13-16H,11-12,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.518 kcal/mol

Physical Properties
Molecular Weight: 392.506 g/mol	logS: -6.50781	SlogP: 5.65151	Reactive groups: 0

Topological Properties
Globularity: 0.0149294	Sterimol/B1: 2.68375	Sterimol/B2: 3.75714	Sterimol/B3: 5.17638
Sterimol/B4: 5.68757	Sterimol/L: 21.7331

Surface and Volume Properties
Accessible surface: 705.258	Positive charged surface: 436.677	Negative charged surface: 252.649	Volume: 397
Hydrophobic surface: 649.625	Hydrophilic surface: 55.633

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.