MMsINC Database Search


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

MMsINC code: MMs01060029

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O(C)c1ccccc1CNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O2/c1-18-19(2)28(17-20-9-5-4-6-10-20)24-14-13-21(15-23(18)24)26(29)27-16-22-11-7-8-12-25(22)30-3/h4-15H,16-17H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9662 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -5.77496	SlogP: 5.77784	Reactive groups: 0

Topological Properties
Globularity: 0.0745515	Sterimol/B1: 2.37154	Sterimol/B2: 3.26336	Sterimol/B3: 5.43902
Sterimol/B4: 9.77636	Sterimol/L: 17.5681

Surface and Volume Properties
Accessible surface: 714.938	Positive charged surface: 442.21	Negative charged surface: 266.923	Volume: 409.5
Hydrophobic surface: 651.469	Hydrophilic surface: 63.469

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.