MMsINC Database Search


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

MMsINC code: MMs03236976

Type: Neutral
Formula: C₂₆H₂₈N₂

SMILES:

[nH]1c2c(c3c1cccc3)c(c1[nH]c3c(c1c2CCCC)cccc3)CCCC

InChI:

InChI=1/C26H28N2/c1-3-5-11-19-23-17-13-7-9-15-21(17)28-26(23)20(12-6-4-2)24-18-14-8-10-16-22(18)27-25(19)24/h7-10,13-16,27-28H,3-6,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6216 kcal/mol

Physical Properties
Molecular Weight: 368.524 g/mol	logS: -9.0703	SlogP: 7.64074	Reactive groups: 0

Topological Properties
Globularity: 0.0512446	Sterimol/B1: 2.21946	Sterimol/B2: 4.02688	Sterimol/B3: 5.03133
Sterimol/B4: 9.2602	Sterimol/L: 16.3791

Surface and Volume Properties
Accessible surface: 670.122	Positive charged surface: 396.518	Negative charged surface: 251.222	Volume: 393
Hydrophobic surface: 597.93	Hydrophilic surface: 72.192

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.