MMsINC Database Search


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

MMsINC code: MMs01159895

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O(C)c1ccccc1-n1c(cc(C(=O)NCCCC)c1C)-c1ccccc1

InChI:

InChI=1/C23H26N2O2/c1-4-5-15-24-23(26)19-16-21(18-11-7-6-8-12-18)25(17(19)2)20-13-9-10-14-22(20)27-3/h6-14,16H,4-5,15H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.975 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -5.49525	SlogP: 4.99122	Reactive groups: 0

Topological Properties
Globularity: 0.0850758	Sterimol/B1: 4.58733	Sterimol/B2: 5.11468	Sterimol/B3: 5.64019
Sterimol/B4: 5.9381	Sterimol/L: 18.4637

Surface and Volume Properties
Accessible surface: 670.978	Positive charged surface: 453.518	Negative charged surface: 217.459	Volume: 376.375
Hydrophobic surface: 602.589	Hydrophilic surface: 68.389

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.