MMsINC Database Search


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

MMsINC code: MMs02350100

Type: Neutral
Formula: C₉H₁₀N+

SMILES:

[N+](#C)c1c(cccc1C)C

InChI:

InChI=1/C9H10N/c1-7-5-4-6-8(2)9(7)10-3/h3-6H,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.961 kcal/mol

Physical Properties
Molecular Weight: 132.186 g/mol	logS: -1.68353	SlogP: 2.89764	Reactive groups: 0

Topological Properties
Globularity: 0.0415136	Sterimol/B1: 2.51242	Sterimol/B2: 2.51254	Sterimol/B3: 4.97783
Sterimol/B4: 5.38198	Sterimol/L: 9.5128

Surface and Volume Properties
Accessible surface: 337.664	Positive charged surface: 232.442	Negative charged surface: 105.222	Volume: 153.375
Hydrophobic surface: 279.232	Hydrophilic surface: 58.432

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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.