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APOLLO-ZINC01599720

 MMsINC code: MMs00049576
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.23974 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: 0.0793412  Sterimol/B1: 2.62092  Sterimol/B2: 2.89543  Sterimol/B3: 3.08156
  Sterimol/B4: 4.29278  Sterimol/L: 10.9506 
 
 Surface and Volume Properties
  Accessible surface: 320.289  Positive charged surface: 214.442  Negative charged surface: 105.848  Volume: 124.375
  Hydrophobic surface: 48.6584  Hydrophilic surface: 271.6306
 
 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.