MMsINC Database Search


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

MMsINC code: MMs00044136

Type: Neutral
Formula: C₈H₁₀N₂

SMILES:

NN1CCc2c1cccc2

InChI:

InChI=1/C8H10N2/c9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6961 kcal/mol

Physical Properties
Molecular Weight: 134.182 g/mol	logS: -1.34514	SlogP: 0.92277	Reactive groups: 0

Topological Properties
Globularity: 0.0978103	Sterimol/B1: 2.64569	Sterimol/B2: 3.2924	Sterimol/B3: 3.50222
Sterimol/B4: 4.33422	Sterimol/L: 9.59828

Surface and Volume Properties
Accessible surface: 322.741	Positive charged surface: 217.118	Negative charged surface: 105.623	Volume: 141.25
Hydrophobic surface: 246.401	Hydrophilic surface: 76.34

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.