MMsINC Database Search


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

MMsINC code: MMs00526402

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1c2c(cccc2N)c(cc1)C

InChI:

InChI=1/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4667 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -2.16822	SlogP: 2.12542	Reactive groups: 0

Topological Properties
Globularity: 0.0138968	Sterimol/B1: 2.10657	Sterimol/B2: 2.51238	Sterimol/B3: 3.70537
Sterimol/B4: 5.79076	Sterimol/L: 10.4539

Surface and Volume Properties
Accessible surface: 350.818	Positive charged surface: 233.046	Negative charged surface: 112.461	Volume: 162.5
Hydrophobic surface: 276.011	Hydrophilic surface: 74.807

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: no related molecules available.