MMsINC Database Search


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

MMsINC code: MMs03160594

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(c1cc(ccc1)C)c1cc2cc([nH]c2cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-16-6-5-9-19(12-16)27-20-10-11-21-18(13-20)14-22(25-21)23(26)24-15-17-7-3-2-4-8-17/h2-14,25H,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.715 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.99836	SlogP: 5.46502	Reactive groups: 0

Topological Properties
Globularity: 0.0467773	Sterimol/B1: 3.49819	Sterimol/B2: 4.05389	Sterimol/B3: 4.19392
Sterimol/B4: 4.39719	Sterimol/L: 21.065

Surface and Volume Properties
Accessible surface: 670.407	Positive charged surface: 376.615	Negative charged surface: 288.184	Volume: 353.25
Hydrophobic surface: 593.15	Hydrophilic surface: 77.257

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.