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PUBCHEM-ZINC05133604

 MMsINC code: MMs03208524
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C(NCC(=O)NO)CC1CCCCC1
InChI:   InChI=1/C10H18N2O3/c13-9(11-7-10(14)12-15)6-8-4-2-1-3-5-8/h8,15H,1-7H2,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=48.0023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -2.52825  SlogP: 0.5784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400067  Sterimol/B1: 2.73332  Sterimol/B2: 3.36048  Sterimol/B3: 3.36235
  Sterimol/B4: 4.32644  Sterimol/L: 15.7368 
 
 Surface and Volume Properties
  Accessible surface: 446.376  Positive charged surface: 329.261  Negative charged surface: 117.114  Volume: 208.625
  Hydrophobic surface: 269.507  Hydrophilic surface: 176.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.