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PUBCHEM-ZINC02526475

 MMsINC code: MMs02893730
Type: Neutral
Formula: C5H11NO3
SMILES:   OC1C(O)CNCC1O
InChI:   InChI=1/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.7527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.147 g/mol  logS: 1.1013  SlogP: -2.3277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272194  Sterimol/B1: 2.53448  Sterimol/B2: 2.86548  Sterimol/B3: 3.47906
  Sterimol/B4: 4.37103  Sterimol/L: 9.09081 
 
 Surface and Volume Properties
  Accessible surface: 292.157  Positive charged surface: 236.176  Negative charged surface: 55.9804  Volume: 121.25
  Hydrophobic surface: 133.137  Hydrophilic surface: 159.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.