MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02804259

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O=C(N(Cc1cccnc1)CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1

InChI:

InChI=1/C24H26N4O2/c1-27(2)22-12-10-21(11-13-22)26-23(29)18-28(17-20-9-6-14-25-16-20)24(30)15-19-7-4-3-5-8-19/h3-14,16H,15,17-18H2,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.861 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.92009	SlogP: 3.62397	Reactive groups: 0

Topological Properties
Globularity: 0.0401676	Sterimol/B1: 2.56502	Sterimol/B2: 4.24935	Sterimol/B3: 5.58647
Sterimol/B4: 8.37303	Sterimol/L: 18.2708

Surface and Volume Properties
Accessible surface: 712.898	Positive charged surface: 493.569	Negative charged surface: 219.329	Volume: 406.75
Hydrophobic surface: 629.554	Hydrophilic surface: 83.344

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.