MMsINC Database Search


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

MMsINC code: MMs02819332

Type: Neutral
Formula: C₁₈H₁₆N₂

SMILES:

n1(c2c(cc1-c1c3c(n(c1)C)cccc3)cccc2)C

InChI:

InChI=1/C18H16N2/c1-19-12-15(14-8-4-6-10-17(14)19)18-11-13-7-3-5-9-16(13)20(18)2/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9241 kcal/mol

Physical Properties
Molecular Weight: 260.34 g/mol	logS: -4.14788	SlogP: 5.0554	Reactive groups: 0

Topological Properties
Globularity: 0.0545719	Sterimol/B1: 2.2069	Sterimol/B2: 2.24758	Sterimol/B3: 3.95009
Sterimol/B4: 7.48464	Sterimol/L: 14.38

Surface and Volume Properties
Accessible surface: 502.174	Positive charged surface: 310.069	Negative charged surface: 181.514	Volume: 270.875
Hydrophobic surface: 491.199	Hydrophilic surface: 10.975

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.