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ACROSORGANICS-ZINC00162629

 MMsINC code: MMs00006027
Type: Neutral
Formula: C5H11NO3
SMILES:   O(C(=O)C(N)CO)CC
InChI:   InChI=1/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=32.8345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.147 g/mol  logS: 0.18526  SlogP: -1.1309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856346  Sterimol/B1: 2.78231  Sterimol/B2: 2.84587  Sterimol/B3: 3.1133
  Sterimol/B4: 4.0905  Sterimol/L: 10.8261 
 
 Surface and Volume Properties
  Accessible surface: 333.626  Positive charged surface: 251.744  Negative charged surface: 81.8822  Volume: 128.875
  Hydrophobic surface: 168.498  Hydrophilic surface: 165.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.