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ENAMINE-ZINC03336078

 MMsINC code: MMs01379862
Type: Neutral
Formula: C5H10N2O2
SMILES:   OC1CC(NC1)C(=O)N
InChI:   InChI=1/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=35.5984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.21589  SlogP: -1.8055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141548  Sterimol/B1: 2.29497  Sterimol/B2: 2.9065  Sterimol/B3: 3.12507
  Sterimol/B4: 4.56235  Sterimol/L: 9.86419 
 
 Surface and Volume Properties
  Accessible surface: 301.405  Positive charged surface: 227.643  Negative charged surface: 73.7621  Volume: 121.625
  Hydrophobic surface: 118.996  Hydrophilic surface: 182.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.