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ACROSORGANICS-ZINC04096639

 MMsINC code: MMs00016599
Type: Neutral
Formula: C5H9NO3
SMILES:   OC1CCNC1C(O)=O
InChI:   InChI=1/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=28.0813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.131 g/mol  logS: 0.49861  SlogP: -1.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156056  Sterimol/B1: 2.82251  Sterimol/B2: 3.08177  Sterimol/B3: 3.66335
  Sterimol/B4: 3.97366  Sterimol/L: 8.94669 
 
 Surface and Volume Properties
  Accessible surface: 294.686  Positive charged surface: 214.059  Negative charged surface: 80.6271  Volume: 117.125
  Hydrophobic surface: 131.441  Hydrophilic surface: 163.245
 
 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.