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


NCID-ZINC01560914

 MMsINC code: MMs02223182
Type: Neutral
Formula: C9H17NO3
SMILES:   OC(=O)C(NC(=O)CC)CCCC
InChI:   InChI=1/C9H17NO3/c1-3-5-6-7(9(12)13)10-8(11)4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)/t7-/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)=13.4436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -1.5275  SlogP: 1.156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775575  Sterimol/B1: 2.27284  Sterimol/B2: 2.78137  Sterimol/B3: 3.1871
  Sterimol/B4: 7.69135  Sterimol/L: 12.6938 
 
 Surface and Volume Properties
  Accessible surface: 426.076  Positive charged surface: 299.655  Negative charged surface: 126.422  Volume: 192.75
  Hydrophobic surface: 257.758  Hydrophilic surface: 168.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02223183
NCID-ZINC01560914