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NCID-ZINC01737816

 MMsINC code: MMs02358587
Type: Neutral
Formula: C7H11N3O4
SMILES:   OC(=O)C(NC(=O)CNC(=O)CN)=C
InChI:   InChI=1/C7H11N3O4/c1-4(7(13)14)10-6(12)3-9-5(11)2-8/h1-3,8H2,(H,9,11)(H,10,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=66.7002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.182 g/mol  logS: -0.18466  SlogP: -2.2242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0362284  Sterimol/B1: 2.097  Sterimol/B2: 2.45145  Sterimol/B3: 3.78506
  Sterimol/B4: 4.81206  Sterimol/L: 13.9251 
 
 Surface and Volume Properties
  Accessible surface: 412.595  Positive charged surface: 276.074  Negative charged surface: 136.521  Volume: 176.25
  Hydrophobic surface: 122.412  Hydrophilic surface: 290.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.