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PUBCHEM-ZINC01846872

 MMsINC code: MMs02824364
Type: Neutral
Formula: C10H21NO3
SMILES:   O(CCCO)C1(NCO)CCCCC1
InChI:   InChI=1/C10H21NO3/c12-7-4-8-14-10(11-9-13)5-2-1-3-6-10/h11-13H,1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.93443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.282 g/mol  logS: -0.52941  SlogP: 0.5852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158919  Sterimol/B1: 2.57245  Sterimol/B2: 3.39277  Sterimol/B3: 3.7381
  Sterimol/B4: 7.04651  Sterimol/L: 12.5966 
 
 Surface and Volume Properties
  Accessible surface: 428.328  Positive charged surface: 357.204  Negative charged surface: 71.1236  Volume: 208.375
  Hydrophobic surface: 300.033  Hydrophilic surface: 128.295
 
 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
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Ions/Tautomers related molecules: no related molecules available.