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PUBCHEM-ZINC05820665

 MMsINC code: MMs03399633
Type: Neutral
Formula: C10H22N2O2
SMILES:   OC(CCCN(N=O)CCCCC)C
InChI:   InChI=1/C10H22N2O2/c1-3-4-5-8-12(11-14)9-6-7-10(2)13/h10,13H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -1.87846  SlogP: 2.321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535698  Sterimol/B1: 2.47963  Sterimol/B2: 2.99933  Sterimol/B3: 3.23865
  Sterimol/B4: 6.52726  Sterimol/L: 15.8622 
 
 Surface and Volume Properties
  Accessible surface: 475.485  Positive charged surface: 337.735  Negative charged surface: 137.751  Volume: 222.875
  Hydrophobic surface: 389.114  Hydrophilic surface: 86.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
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Ions/Tautomers related molecules: no related molecules available.