MMsINC Database Search


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

MMsINC code: MMs00583221

Type: Neutral
Formula: C₂₃H₁₈N₂O

SMILES:

O=C(NCc1ccccc1)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C23H18N2O/c26-23(24-16-17-9-3-1-4-10-17)20-15-22(18-11-5-2-6-12-18)25-21-14-8-7-13-19(20)21/h1-15H,16H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.733 kcal/mol

Physical Properties
Molecular Weight: 338.41 g/mol	logS: -6.28263	SlogP: 5.0982	Reactive groups: 0

Topological Properties
Globularity: 0.0441072	Sterimol/B1: 3.59915	Sterimol/B2: 3.77802	Sterimol/B3: 6.52789
Sterimol/B4: 7.65845	Sterimol/L: 15.2544

Surface and Volume Properties
Accessible surface: 619.061	Positive charged surface: 328.455	Negative charged surface: 279.277	Volume: 340.5
Hydrophobic surface: 563.457	Hydrophilic surface: 55.604

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.