MMsINC Database Search


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

MMsINC code: MMs03925794

Type: Neutral
Formula: C₁₁H₁₂N₂

SMILES:

n1c2c(ccc1N(C)C)cccc2

InChI:

InChI=1/C11H12N2/c1-13(2)11-8-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4739 kcal/mol

Physical Properties
Molecular Weight: 172.231 g/mol	logS: -2.21209	SlogP: 2.3008	Reactive groups: 0

Topological Properties
Globularity: 0.0164556	Sterimol/B1: 2.33746	Sterimol/B2: 2.40894	Sterimol/B3: 3.55593
Sterimol/B4: 4.87937	Sterimol/L: 12.3028

Surface and Volume Properties
Accessible surface: 382.689	Positive charged surface: 272.086	Negative charged surface: 104.485	Volume: 181.5
Hydrophobic surface: 363.408	Hydrophilic surface: 19.281

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.