MMsINC Database Search


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

MMsINC code: MMs00271606

Type: Neutral
Formula: C₂₆H₁₈N₂O

SMILES:

O(c1ccc(cc1)-c1nc(nc2c1cccc2)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H18N2O/c1-3-9-20(10-4-1)26-27-24-14-8-7-13-23(24)25(28-26)19-15-17-22(18-16-19)29-21-11-5-2-6-12-21/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.708 kcal/mol

Physical Properties
Molecular Weight: 374.443 g/mol	logS: -8.99797	SlogP: 6.7561	Reactive groups: 0

Topological Properties
Globularity: 0.0434452	Sterimol/B1: 2.92722	Sterimol/B2: 3.61071	Sterimol/B3: 4.25881
Sterimol/B4: 9.94967	Sterimol/L: 19.0708

Surface and Volume Properties
Accessible surface: 665.522	Positive charged surface: 347.268	Negative charged surface: 305.06	Volume: 373.125
Hydrophobic surface: 637.303	Hydrophilic surface: 28.219

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.