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


ACROSORGANICS-ZINC04283938

 MMsINC code: MMs00017953
Type: Neutral
Formula: C9H17NO4
SMILES:   O(CCC)CCNC(=O)CCC(O)=O
InChI:   InChI=1/C9H17NO4/c1-2-6-14-7-5-10-8(11)3-4-9(12)13/h2-7H2,1H3,(H,10,11)(H,12,13)

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)=0.9736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.238 g/mol  logS: -0.19441  SlogP: 0.394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347089  Sterimol/B1: 2.38552  Sterimol/B2: 2.96208  Sterimol/B3: 3.03983
  Sterimol/B4: 5.79465  Sterimol/L: 15.8749 
 
 Surface and Volume Properties
  Accessible surface: 460.818  Positive charged surface: 347.678  Negative charged surface: 113.14  Volume: 203.625
  Hydrophobic surface: 289.638  Hydrophilic surface: 171.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00017954
ACROSORGANICS-ZINC04283938