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ACROSORGANICS-ZINC01666561

 MMsINC code: MMs00010413
Type: Neutral
Formula: C4H9NO2
SMILES:   O(C(=O)CN)CC
InChI:   InChI=1/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3

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Potential Energy
Epot(MMFF94)=22.6802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: -0.01728  SlogP: -0.4918  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0532375  Sterimol/B1: 2.43409  Sterimol/B2: 2.44149  Sterimol/B3: 2.57396
  Sterimol/B4: 3.54416  Sterimol/L: 10.5913 
 
 Surface and Volume Properties
  Accessible surface: 292.138  Positive charged surface: 223.292  Negative charged surface: 68.8459  Volume: 105.625
  Hydrophobic surface: 158.292  Hydrophilic surface: 133.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00010414
ACROSORGANICS-ZINC01666561