MMsINC Database Search


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MMsINC code: MMs02427046

Type: Neutral
Formula: C₂₄H₂₂N₄+2

SMILES:

[n+]1(ccccc1\C=C\c1nc2c(nc1\C=C\c1[n+](cccc1)C)cccc2)C

InChI:

InChI=1/C24H22N4/c1-27-17-7-5-9-19(27)13-15-23-24(16-14-20-10-6-8-18-28(20)2)26-22-12-4-3-11-21(22)25-23/h3-18H,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.685 kcal/mol

Physical Properties
Molecular Weight: 366.468 g/mol	logS: -3.01328	SlogP: 4.338	Reactive groups: 0

Topological Properties
Globularity: 0.00588851	Sterimol/B1: 2.11253	Sterimol/B2: 2.74548	Sterimol/B3: 6.13224
Sterimol/B4: 8.36981	Sterimol/L: 16.2896

Surface and Volume Properties
Accessible surface: 672.945	Positive charged surface: 441.697	Negative charged surface: 231.248	Volume: 376.375
Hydrophobic surface: 540.061	Hydrophilic surface: 132.884

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
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: 1

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Ions/Tautomers related molecules: no related molecules available.