MMsINC Database Search


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

MMsINC code: MMs01958626

Type: Neutral
Formula: C₂₆H₁₈N₂O

SMILES:

O=C1n2c3c(c4c2cccc4)c(cnc3-c2c1cccc2)-c1ccc(cc1)CC

InChI:

InChI=1/C26H18N2O/c1-2-16-11-13-17(14-12-16)21-15-27-24-18-7-3-4-8-19(18)26(29)28-22-10-6-5-9-20(22)23(21)25(24)28/h3-15H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.837 kcal/mol

Physical Properties
Molecular Weight: 374.443 g/mol	logS: -8.47774	SlogP: 6.08777	Reactive groups: 0

Topological Properties
Globularity: 0.0240901	Sterimol/B1: 2.50347	Sterimol/B2: 3.74364	Sterimol/B3: 3.9691
Sterimol/B4: 8.35573	Sterimol/L: 18.4721

Surface and Volume Properties
Accessible surface: 613.004	Positive charged surface: 340.987	Negative charged surface: 252.532	Volume: 367.25
Hydrophobic surface: 541.196	Hydrophilic surface: 71.808

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.