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MMsINC code: MMs01005818

Type: Neutral
Formula: C₂₄H₂₄N₄O

SMILES:

O=C(NCc1ccc(cc1)C)CCc1nc2cccnc2n1Cc1ccccc1

InChI:

InChI=1/C24H24N4O/c1-18-9-11-19(12-10-18)16-26-23(29)14-13-22-27-21-8-5-15-25-24(21)28(22)17-20-6-3-2-4-7-20/h2-12,15H,13-14,16-17H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8601 kcal/mol

Physical Properties
Molecular Weight: 384.483 g/mol	logS: -5.60857	SlogP: 4.56979	Reactive groups: 0

Topological Properties
Globularity: 0.0620532	Sterimol/B1: 2.56686	Sterimol/B2: 5.31433	Sterimol/B3: 5.51739
Sterimol/B4: 6.61628	Sterimol/L: 19.2201

Surface and Volume Properties
Accessible surface: 704.227	Positive charged surface: 446.461	Negative charged surface: 257.766	Volume: 389.25
Hydrophobic surface: 616.391	Hydrophilic surface: 87.836

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.