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NCID-ZINC01602294

 MMsINC code: MMs02255161
Type: Neutral
Formula: C6H13N3O3
SMILES:   O(CCNC(=O)NC)C(=O)NC
InChI:   InChI=1/C6H13N3O3/c1-7-5(10)9-3-4-12-6(11)8-2/h3-4H2,1-2H3,(H,8,11)(H2,7,9,10)

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Potential Energy
Epot(MMFF94)=-37.7468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.188 g/mol  logS: 0.14628  SlogP: -0.7286  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0381325  Sterimol/B1: 2.40101  Sterimol/B2: 2.82628  Sterimol/B3: 2.84531
  Sterimol/B4: 5.00579  Sterimol/L: 13.7515 
 
 Surface and Volume Properties
  Accessible surface: 403.882  Positive charged surface: 346.274  Negative charged surface: 57.6077  Volume: 164.75
  Hydrophobic surface: 259.14  Hydrophilic surface: 144.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.