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PUBCHEM-ZINC06691828

 MMsINC code: MMs03839373
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)CNC(=O)NC1CCCCC1
InChI:   InChI=1/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)

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Potential Energy
Epot(MMFF94)=-12.5084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -1.07131  SlogP: 0.7029  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0558666  Sterimol/B1: 2.83513  Sterimol/B2: 3.37651  Sterimol/B3: 3.5087
  Sterimol/B4: 3.899  Sterimol/L: 14.6982 
 
 Surface and Volume Properties
  Accessible surface: 420.555  Positive charged surface: 309.045  Negative charged surface: 111.51  Volume: 190.625
  Hydrophobic surface: 247.972  Hydrophilic surface: 172.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03839374
PUBCHEM-ZINC06691828