MMsINC Database Search


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

MMsINC code: MMs00175956

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1ccc(cc1)C(=O)NCc1cccnc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-24(26-16-19-5-4-14-25-15-19)21-12-10-18(11-13-21)17-28-23-9-3-7-20-6-1-2-8-22(20)23/h1-15H,16-17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9242 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.73693	SlogP: 5.2766	Reactive groups: 0

Topological Properties
Globularity: 0.0580455	Sterimol/B1: 2.31697	Sterimol/B2: 3.48804	Sterimol/B3: 4.83425
Sterimol/B4: 6.87374	Sterimol/L: 19.7099

Surface and Volume Properties
Accessible surface: 683.81	Positive charged surface: 406.084	Negative charged surface: 266.655	Volume: 365.875
Hydrophobic surface: 614.287	Hydrophilic surface: 69.523

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.