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MMsINC code: MMs00269023

Type: Neutral
Formula: C₂₄H₂₆N₄O

SMILES:

OC(CN1CCN(CC1)c1ncccc1)Cn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C24H26N4O/c29-19(17-26-13-15-27(16-14-26)24-11-5-6-12-25-24)18-28-22-9-3-1-7-20(22)21-8-2-4-10-23(21)28/h1-12,19,29H,13-18H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.575 kcal/mol

Physical Properties
Molecular Weight: 386.499 g/mol	logS: -4.03453	SlogP: 3.639	Reactive groups: 0

Topological Properties
Globularity: 0.0829505	Sterimol/B1: 2.1541	Sterimol/B2: 3.33072	Sterimol/B3: 5.90926
Sterimol/B4: 8.168	Sterimol/L: 18.3132

Surface and Volume Properties
Accessible surface: 676.745	Positive charged surface: 446.63	Negative charged surface: 219.257	Volume: 389.25
Hydrophobic surface: 624.884	Hydrophilic surface: 51.861

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00269024
ASINEX-ZINC02324739