logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ACROSORGANICS-ZINC02032473

 MMsINC code: MMs00012491
Type: Tautomer
Formula: C10H15N
SMILES:   N(C(C)c1ccccc1)(C)C
InChI:   InChI=1/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=40.2072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -1.58354  SlogP: 2.4047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209784  Sterimol/B1: 2.35831  Sterimol/B2: 2.71379  Sterimol/B3: 4.05388
  Sterimol/B4: 5.85106  Sterimol/L: 10.9771 
 
 Surface and Volume Properties
  Accessible surface: 364.093  Positive charged surface: 270.849  Negative charged surface: 93.244  Volume: 174.625
  Hydrophobic surface: 344.282  Hydrophilic surface: 19.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs00012490
ACROSORGANICS-ZINC02032473