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PUBCHEM-ZINC02010265

 MMsINC code: MMs02848653
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=CCCNCCCCNCCC=O
InChI:   InChI=1/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.23825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: 0.6431  SlogP: 0.1238  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.025  Sterimol/B1: 2.25817  Sterimol/B2: 2.37579  Sterimol/B3: 2.60263
  Sterimol/B4: 3.16278  Sterimol/L: 18.7133 
 
 Surface and Volume Properties
  Accessible surface: 485.9  Positive charged surface: 376.914  Negative charged surface: 108.986  Volume: 216.375
  Hydrophobic surface: 321.667  Hydrophilic surface: 164.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02848654
PUBCHEM-ZINC02010265