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PUBCHEM-ZINC03650749

 MMsINC code: MMs03033943
Type: Neutral
Formula: C6H11NO3
SMILES:   OC(=O)CC(=O)CC(N)C
InChI:   InChI=1/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=6.60933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: 0.29986  SlogP: -0.2325  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0600079  Sterimol/B1: 2.55202  Sterimol/B2: 2.62302  Sterimol/B3: 2.87124
  Sterimol/B4: 3.92816  Sterimol/L: 11.8229 
 
 Surface and Volume Properties
  Accessible surface: 336.302  Positive charged surface: 234.512  Negative charged surface: 101.79  Volume: 137.625
  Hydrophobic surface: 146.048  Hydrophilic surface: 190.254
 
 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.