MMsINC Database Search


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

MMsINC code: MMs02846263

Type: Neutral
Formula: C₁₈H₁₈N₂

SMILES:

[nH]1cc(c2c1cccc2)CCN1Cc2c(C1)cccc2

InChI:

InChI=1/C18H18N2/c1-2-6-16-13-20(12-15(16)5-1)10-9-14-11-19-18-8-4-3-7-17(14)18/h1-8,11,19H,9-10,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6711 kcal/mol

Physical Properties
Molecular Weight: 262.356 g/mol	logS: -3.498	SlogP: 4.25897	Reactive groups: 0

Topological Properties
Globularity: 0.101148	Sterimol/B1: 2.33305	Sterimol/B2: 4.08409	Sterimol/B3: 4.38584
Sterimol/B4: 5.68156	Sterimol/L: 15.2386

Surface and Volume Properties
Accessible surface: 524.385	Positive charged surface: 330.636	Negative charged surface: 188.545	Volume: 275.875
Hydrophobic surface: 456.611	Hydrophilic surface: 67.774

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs02846264
PUBCHEM-ZINC02006030