MMsINC Database Search


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MMsINC code: MMs02811268

Type: Neutral
Formula: C₂₆H₂₂N₂O

SMILES:

O(Cc1nc2c(n1Cc1c3c(ccc1)cccc3)cccc2)c1ccccc1C

InChI:

InChI=1/C26H22N2O/c1-19-9-2-7-16-25(19)29-18-26-27-23-14-5-6-15-24(23)28(26)17-21-12-8-11-20-10-3-4-13-22(20)21/h2-16H,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.418 kcal/mol

Physical Properties
Molecular Weight: 378.475 g/mol	logS: -7.15494	SlogP: 6.65802	Reactive groups: 0

Topological Properties
Globularity: 0.125522	Sterimol/B1: 2.39452	Sterimol/B2: 5.45721	Sterimol/B3: 5.94544
Sterimol/B4: 6.78715	Sterimol/L: 15.5534

Surface and Volume Properties
Accessible surface: 610.978	Positive charged surface: 342.041	Negative charged surface: 259.619	Volume: 382.125
Hydrophobic surface: 569.06	Hydrophilic surface: 41.918

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

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Ions/Tautomers related molecules: no related molecules available.