MMsINC Database Search


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

MMsINC code: MMs03193223

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccccc1-c1nc2c(cccc2)c(c1)C(=O)Nc1c(cccc1C)CC

InChI:

InChI=1/C26H24N2O2/c1-4-18-11-9-10-17(2)25(18)28-26(29)21-16-23(20-13-6-8-15-24(20)30-3)27-22-14-7-5-12-19(21)22/h5-16H,4H2,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.225 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.22513	SlogP: 6.03349	Reactive groups: 0

Topological Properties
Globularity: 0.0729118	Sterimol/B1: 2.01817	Sterimol/B2: 3.93768	Sterimol/B3: 6.49462
Sterimol/B4: 9.11917	Sterimol/L: 17.1931

Surface and Volume Properties
Accessible surface: 674.956	Positive charged surface: 404.397	Negative charged surface: 258.384	Volume: 395.5
Hydrophobic surface: 618.93	Hydrophilic surface: 56.026

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.