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CHEMBRIDGE-ZINC02824250

 MMsINC code: MMs00720517
Type: Neutral
Formula: C9H16N2O3
SMILES:   O(CCCNC(=O)C(=O)NC1CC1)C
InChI:   InChI=1/C9H16N2O3/c1-14-6-2-5-10-8(12)9(13)11-7-3-4-7/h7H,2-6H2,1H3,(H,10,12)(H,11,13)

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Potential Energy
Epot(MMFF94)=34.5648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.83247  SlogP: -0.5823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243734  Sterimol/B1: 2.74133  Sterimol/B2: 2.93748  Sterimol/B3: 3.26037
  Sterimol/B4: 3.41046  Sterimol/L: 16.7167 
 
 Surface and Volume Properties
  Accessible surface: 456.52  Positive charged surface: 347.396  Negative charged surface: 109.124  Volume: 199.125
  Hydrophobic surface: 299.763  Hydrophilic surface: 156.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.