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MMsINC code: MMs01106387

Type: Neutral
Formula: C₂₄H₂₄N₄O₂

SMILES:

O=C(N1CCN(CC1)Cc1ccccc1)c1ccccc1NC(=O)c1cccnc1

InChI:

InChI=1/C24H24N4O2/c29-23(20-9-6-12-25-17-20)26-22-11-5-4-10-21(22)24(30)28-15-13-27(14-16-28)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.174 kcal/mol

Physical Properties
Molecular Weight: 400.482 g/mol	logS: -3.9515	SlogP: 3.5583	Reactive groups: 0

Topological Properties
Globularity: 0.0833634	Sterimol/B1: 3.15389	Sterimol/B2: 5.80797	Sterimol/B3: 5.81026
Sterimol/B4: 6.17257	Sterimol/L: 19.1823

Surface and Volume Properties
Accessible surface: 682.353	Positive charged surface: 451.4	Negative charged surface: 230.953	Volume: 391.125
Hydrophobic surface: 606.048	Hydrophilic surface: 76.305

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

MMs01106388
CHEMSTAR-ZINC04119393