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MMsINC code: MMs03894247

Type: Neutral
Formula: C₂₃H₂₆N₄O

SMILES:

O=C(Nc1ccccc1)CN1CCCN(CC1)Cc1nc2c(cc1)cccc2

InChI:

InChI=1/C23H26N4O/c28-23(25-20-8-2-1-3-9-20)18-27-14-6-13-26(15-16-27)17-21-12-11-19-7-4-5-10-22(19)24-21/h1-5,7-12H,6,13-18H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.136 kcal/mol

Physical Properties
Molecular Weight: 374.488 g/mol	logS: -4.24272	SlogP: 3.6476	Reactive groups: 0

Topological Properties
Globularity: 0.089651	Sterimol/B1: 2.4715	Sterimol/B2: 4.18795	Sterimol/B3: 4.27252
Sterimol/B4: 8.83047	Sterimol/L: 17.6836

Surface and Volume Properties
Accessible surface: 672.986	Positive charged surface: 460.199	Negative charged surface: 207.202	Volume: 377.5
Hydrophobic surface: 620.598	Hydrophilic surface: 52.388

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03894248
PUBCHEM-ZINC06896685