MMsINC Database Search


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

MMsINC code: MMs02911172

Type: Neutral
Formula: C₂₆H₂₂N₂

SMILES:

n1c2c(n(Cc3ccccc3C)c1Cc1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C26H22N2/c1-19-9-2-3-11-22(19)18-28-25-16-7-6-15-24(25)27-26(28)17-21-13-8-12-20-10-4-5-14-23(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)=122.799 kcal/mol

Physical Properties
Molecular Weight: 362.476 g/mol	logS: -7.45304	SlogP: 6.40339	Reactive groups: 0

Topological Properties
Globularity: 0.141826	Sterimol/B1: 3.15397	Sterimol/B2: 4.79041	Sterimol/B3: 5.72657
Sterimol/B4: 6.73644	Sterimol/L: 15.2975

Surface and Volume Properties
Accessible surface: 610.79	Positive charged surface: 332.222	Negative charged surface: 268.487	Volume: 373.5
Hydrophobic surface: 588.209	Hydrophilic surface: 22.581

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.