MMsINC Database Search


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

MMsINC code: MMs01158505

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

o1cccc1CN(Cc1ccccc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C20H20N2O2/c1-16-8-5-6-12-19(16)21-20(23)22(15-18-11-7-13-24-18)14-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6346 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.77004	SlogP: 5.35512	Reactive groups: 0

Topological Properties
Globularity: 0.177775	Sterimol/B1: 2.17141	Sterimol/B2: 5.32347	Sterimol/B3: 6.52685
Sterimol/B4: 7.62796	Sterimol/L: 14.2563

Surface and Volume Properties
Accessible surface: 584.201	Positive charged surface: 325.002	Negative charged surface: 259.2	Volume: 324.625
Hydrophobic surface: 551.799	Hydrophilic surface: 32.402

Pharmacophoric Properties
Hydrogen bond donors: 1	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.