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MMsINC code: MMs00082161

Type: Neutral
Formula: C₂₁H₂₄N₄O

SMILES:

O1CCN(CC1)CCNc1nc(nc2c1cccc2)-c1cc(ccc1)C

InChI:

InChI=1/C21H24N4O/c1-16-5-4-6-17(15-16)20-23-19-8-3-2-7-18(19)21(24-20)22-9-10-25-11-13-26-14-12-25/h2-8,15H,9-14H2,1H3,(H,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2446 kcal/mol

Physical Properties
Molecular Weight: 348.45 g/mol	logS: -5.59109	SlogP: 3.34932	Reactive groups: 0

Topological Properties
Globularity: 0.025335	Sterimol/B1: 2.96085	Sterimol/B2: 3.33539	Sterimol/B3: 3.38343
Sterimol/B4: 10.3395	Sterimol/L: 17.1487

Surface and Volume Properties
Accessible surface: 644.56	Positive charged surface: 444.353	Negative charged surface: 189.586	Volume: 352.375
Hydrophobic surface: 585.723	Hydrophilic surface: 58.837

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

MMs00082162
ASINEX-ZINC00144303