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


ACROSORGANICS-ZINC03639348

 MMsINC code: MMs00015043
Type: Neutral
Formula: C4H11N
SMILES:   NC(CC)C
InChI:   InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1

Download   format file 
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)=-2.73007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 73.139 g/mol  logS: -0.13809  SlogP: 0.7436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175269  Sterimol/B1: 2.72418  Sterimol/B2: 2.94349  Sterimol/B3: 3.10495
  Sterimol/B4: 3.57166  Sterimol/L: 8.40683 
 
 Surface and Volume Properties
  Accessible surface: 256.188  Positive charged surface: 195.303  Negative charged surface: 60.8853  Volume: 93.375
  Hydrophobic surface: 161.148  Hydrophilic surface: 95.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:  
   

Ions/Tautomers related molecules


MMs00015044
ACROSORGANICS-ZINC03639348