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MMsINC code: MMs03336228

Type: Neutral
Formula: C₂₄H₄₅N₃O₃

SMILES:

O(CCN(CC)CC)c1c(OCCN(CC)CC)cccc1OCCN(CC)CC

InChI:

InChI=1/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.849 kcal/mol

Physical Properties
Molecular Weight: 423.642 g/mol	logS: -3.19295	SlogP: 3.8484	Reactive groups: 0

Topological Properties
Globularity: 0.0890018	Sterimol/B1: 3.79037	Sterimol/B2: 4.51446	Sterimol/B3: 4.91795
Sterimol/B4: 8.95014	Sterimol/L: 17.2163

Surface and Volume Properties
Accessible surface: 738.252	Positive charged surface: 575.267	Negative charged surface: 162.985	Volume: 466.625
Hydrophobic surface: 618.376	Hydrophilic surface: 119.876

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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

MMs03336229
PUBCHEM-ZINC05650070