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MMsINC code: MMs02333961

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

O(CCCCCCOc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N

InChI:

InChI=1/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1246 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -4.99282	SlogP: 3.27294	Reactive groups: 0

Topological Properties
Globularity: 0.00421216	Sterimol/B1: 2.37424	Sterimol/B2: 2.37669	Sterimol/B3: 2.91632
Sterimol/B4: 5.76417	Sterimol/L: 24.6936

Surface and Volume Properties
Accessible surface: 684.253	Positive charged surface: 447.927	Negative charged surface: 236.326	Volume: 357.5
Hydrophobic surface: 449.62	Hydrophilic surface: 234.633

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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: 1

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Ions/Tautomers related molecules

MMs02333962
NCID-ZINC01705403