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PUBCHEM-ZINC06468783

 MMsINC code: MMs03750386
Type: Neutral
Formula: C9H17N3O3
SMILES:   OC(=O)C(NC(=O)N1CCN(CC1)C)C
InChI:   InChI=1/C9H17N3O3/c1-7(8(13)14)10-9(15)12-5-3-11(2)4-6-12/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=26.3722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.253 g/mol  logS: 0.13188  SlogP: -0.5835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101585  Sterimol/B1: 2.07206  Sterimol/B2: 3.22256  Sterimol/B3: 4.41873
  Sterimol/B4: 4.90254  Sterimol/L: 13.8788 
 
 Surface and Volume Properties
  Accessible surface: 431.824  Positive charged surface: 343.45  Negative charged surface: 88.3734  Volume: 207.375
  Hydrophobic surface: 285.254  Hydrophilic surface: 146.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.