MMsINC Database Search


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

MMsINC code: MMs02735012

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1ccccc1CN(C(=O)Nc1ccc(cc1)C)c1ccc(OCC)cc1

InChI:

InChI=1/C24H26N2O3/c1-4-29-22-15-13-21(14-16-22)26(17-19-7-5-6-8-23(19)28-3)24(27)25-20-11-9-18(2)10-12-20/h5-16H,4,17H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.646 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.81585	SlogP: 5.90742	Reactive groups: 0

Topological Properties
Globularity: 0.0534793	Sterimol/B1: 2.71722	Sterimol/B2: 2.97692	Sterimol/B3: 4.74579
Sterimol/B4: 9.33402	Sterimol/L: 19.1588

Surface and Volume Properties
Accessible surface: 668.435	Positive charged surface: 438.262	Negative charged surface: 230.173	Volume: 391.25
Hydrophobic surface: 610.714	Hydrophilic surface: 57.721

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.