MMsINC Database Search


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

MMsINC code: MMs02217784

Type: Neutral
Formula: C₂₆H₂₈N₂O₂

SMILES:

O=C(N(CC)c1cc(ccc1)C)c1ccc(cc1)C(=O)N(CC)c1cc(ccc1)C

InChI:

InChI=1/C26H28N2O2/c1-5-27(23-11-7-9-19(3)17-23)25(29)21-13-15-22(16-14-21)26(30)28(6-2)24-12-8-10-20(4)18-24/h7-18H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=392.965 kcal/mol

Physical Properties
Molecular Weight: 400.522 g/mol	logS: -6.71514	SlogP: 5.63684	Reactive groups: 0

Topological Properties
Globularity: 0.0295403	Sterimol/B1: 2.34014	Sterimol/B2: 3.37747	Sterimol/B3: 4.05721
Sterimol/B4: 6.98983	Sterimol/L: 20.5375

Surface and Volume Properties
Accessible surface: 687.906	Positive charged surface: 415.263	Negative charged surface: 272.643	Volume: 401
Hydrophobic surface: 605.384	Hydrophilic surface: 82.522

Pharmacophoric Properties
Hydrogen bond donors: 0	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.