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MMsINC code: MMs02284691

Type: Neutral
Formula: C₂₂H₂₄N₆O₂

SMILES:

O=C1N2CCCN(C2=Nc2c1cccc2)C(=O)CN1CCN(CC1)c1ncccc1

InChI:

InChI=1/C22H24N6O2/c29-20(16-25-12-14-26(15-13-25)19-8-3-4-9-23-19)27-10-5-11-28-21(30)17-6-1-2-7-18(17)24-22(27)28/h1-4,6-9H,5,10-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.536 kcal/mol

Physical Properties
Molecular Weight: 404.474 g/mol	logS: -3.38021	SlogP: 1.5794	Reactive groups: 0

Topological Properties
Globularity: 0.0398514	Sterimol/B1: 2.60461	Sterimol/B2: 2.99565	Sterimol/B3: 3.80577
Sterimol/B4: 9.63418	Sterimol/L: 18.458

Surface and Volume Properties
Accessible surface: 653.477	Positive charged surface: 474.51	Negative charged surface: 178.967	Volume: 380
Hydrophobic surface: 559.246	Hydrophilic surface: 94.231

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs02284692
NCID-ZINC01643143