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ACROSORGANICS-ZINC02559039

 MMsINC code: MMs00014281
Type: Neutral
Formula: C6H13NO3
SMILES:   O(C(C(N)C(O)=O)C)CC
InChI:   InChI=1/C6H13NO3/c1-3-10-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=30.7728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.174 g/mol  logS: -0.0748  SlogP: -0.1767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128296  Sterimol/B1: 2.78883  Sterimol/B2: 3.09068  Sterimol/B3: 4.2878
  Sterimol/B4: 4.51747  Sterimol/L: 10.4701 
 
 Surface and Volume Properties
  Accessible surface: 342.543  Positive charged surface: 246.174  Negative charged surface: 96.3683  Volume: 146.5
  Hydrophobic surface: 162.302  Hydrophilic surface: 180.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.