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ACROSORGANICS-ZINC01531037

 MMsINC code: MMs00008965
Type: Neutral
Formula: C4H9N3O3
SMILES:   OC(=O)C(N)CNC(=O)N
InChI:   InChI=1/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.43096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.134 g/mol  logS: 0.60248  SlogP: -1.9334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773272  Sterimol/B1: 2.63627  Sterimol/B2: 2.79678  Sterimol/B3: 3.07047
  Sterimol/B4: 4.25036  Sterimol/L: 10.9061 
 
 Surface and Volume Properties
  Accessible surface: 322.291  Positive charged surface: 222.819  Negative charged surface: 99.4723  Volume: 126.75
  Hydrophobic surface: 48.9667  Hydrophilic surface: 273.3243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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.