MMsINC Database Search


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MMsINC code: MMs01815704

Type: Neutral
Formula: C₂₆H₂₄N₄

SMILES:

n1c2nc3c(nc2n(Cc2ccccc2)c1-c1ccc(cc1)C(C)(C)C)cccc3

InChI:

InChI=1/C26H24N4/c1-26(2,3)20-15-13-19(14-16-20)24-29-23-25(28-22-12-8-7-11-21(22)27-23)30(24)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.124 kcal/mol

Physical Properties
Molecular Weight: 392.506 g/mol	logS: -9.94505	SlogP: 6.2587	Reactive groups: 0

Topological Properties
Globularity: 0.0695532	Sterimol/B1: 2.45677	Sterimol/B2: 4.71383	Sterimol/B3: 4.99686
Sterimol/B4: 6.50467	Sterimol/L: 18.1311

Surface and Volume Properties
Accessible surface: 661.191	Positive charged surface: 394.428	Negative charged surface: 266.762	Volume: 398.75
Hydrophobic surface: 537.268	Hydrophilic surface: 123.923

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.