MMsINC Database Search


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

MMsINC code: MMs01144512

Type: Neutral
Formula: C₂₄H₃₆N₄O₂

SMILES:

O=C(N(Cc1n(ccc1)C)CCCC)CN(CC(C)C)C(=O)Nc1ccccc1C

InChI:

InChI=1/C24H36N4O2/c1-6-7-15-27(17-21-12-10-14-26(21)5)23(29)18-28(16-19(2)3)24(30)25-22-13-9-8-11-20(22)4/h8-14,19H,6-7,15-18H2,1-5H3,(H,25,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1602 kcal/mol

Physical Properties
Molecular Weight: 412.578 g/mol	logS: -3.58225	SlogP: 5.27792	Reactive groups: 0

Topological Properties
Globularity: 0.212574	Sterimol/B1: 2.47131	Sterimol/B2: 2.76783	Sterimol/B3: 7.87548
Sterimol/B4: 9.65974	Sterimol/L: 16.2089

Surface and Volume Properties
Accessible surface: 745.401	Positive charged surface: 500.402	Negative charged surface: 244.999	Volume: 437.375
Hydrophobic surface: 618.325	Hydrophilic surface: 127.076

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.