MMsINC Database Search


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MMsINC code: MMs01816550

Type: Neutral
Formula: C₂₆H₂₄N₄

SMILES:

n1c2nc3c(nc2n(c1-c1ccc(cc1)C)-c1ccc(cc1)CCCC)cccc3

InChI:

InChI=1/C26H24N4/c1-3-4-7-19-12-16-21(17-13-19)30-25(20-14-10-18(2)11-15-20)29-24-26(30)28-23-9-6-5-8-22(23)27-24/h5-6,8-17H,3-4,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.396 kcal/mol

Physical Properties
Molecular Weight: 392.506 g/mol	logS: -10.4749	SlogP: 6.28669	Reactive groups: 0

Topological Properties
Globularity: 0.033609	Sterimol/B1: 2.8218	Sterimol/B2: 3.16238	Sterimol/B3: 4.24639
Sterimol/B4: 9.6273	Sterimol/L: 19.2324

Surface and Volume Properties
Accessible surface: 696.023	Positive charged surface: 436.228	Negative charged surface: 259.795	Volume: 397.5
Hydrophobic surface: 609.035	Hydrophilic surface: 86.988

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

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Ions/Tautomers related molecules: no related molecules available.