MMsINC Database Search


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

MMsINC code: MMs00775697

Type: Neutral
Formula: C₂₆H₂₆N₂O₃

SMILES:

O(c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2C)cc1)c1ccccc1

InChI:

InChI=1/C26H26N2O3/c1-19-7-5-6-10-24(19)26(30)28-17-15-20(16-18-28)25(29)27-21-11-13-23(14-12-21)31-22-8-3-2-4-9-22/h2-14,20H,15-18H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.189 kcal/mol

Physical Properties
Molecular Weight: 414.505 g/mol	logS: -5.98694	SlogP: 5.27822	Reactive groups: 0

Topological Properties
Globularity: 0.0751727	Sterimol/B1: 2.08823	Sterimol/B2: 3.22192	Sterimol/B3: 6.58857
Sterimol/B4: 6.97087	Sterimol/L: 19.8183

Surface and Volume Properties
Accessible surface: 714.693	Positive charged surface: 441.444	Negative charged surface: 273.249	Volume: 409.25
Hydrophobic surface: 659.136	Hydrophilic surface: 55.557

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.