MMsINC Database Search


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

MMsINC code: MMs00015305

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c(cnc1-c1ccc(cc1)-c1oc(cn1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9457 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -9.17562	SlogP: 6.3306	Reactive groups: 0

Topological Properties
Globularity: 2.78387e-07	Sterimol/B1: 2.10258	Sterimol/B2: 2.10266	Sterimol/B3: 3.13676
Sterimol/B4: 6.77561	Sterimol/L: 21.9776

Surface and Volume Properties
Accessible surface: 651.615	Positive charged surface: 379.369	Negative charged surface: 272.246	Volume: 355.75
Hydrophobic surface: 602.487	Hydrophilic surface: 49.128

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.