MMsINC Database Search


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

MMsINC code: MMs01195047

Type: Neutral
Formula: C₂₆H₃₂N₂O₂

SMILES:

O(CC)c1ccccc1-n1c(cc(C(=O)N(CCC)CCC)c1C)-c1ccccc1

InChI:

InChI=1/C26H32N2O2/c1-5-17-27(18-6-2)26(29)22-19-24(21-13-9-8-10-14-21)28(20(22)4)23-15-11-12-16-25(23)30-7-3/h8-16,19H,5-7,17-18H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.526 kcal/mol

Physical Properties
Molecular Weight: 404.554 g/mol	logS: -5.73023	SlogP: 6.11362	Reactive groups: 0

Topological Properties
Globularity: 0.215638	Sterimol/B1: 3.85268	Sterimol/B2: 3.89763	Sterimol/B3: 6.35028
Sterimol/B4: 7.53132	Sterimol/L: 16.1734

Surface and Volume Properties
Accessible surface: 716.356	Positive charged surface: 474.68	Negative charged surface: 241.677	Volume: 429
Hydrophobic surface: 624.099	Hydrophilic surface: 92.257

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.