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NCID-ZINC04933749

 MMsINC code: MMs02416732
Type: Neutral
Formula: C10H18N6O4
SMILES:   O=C(NC1CCC(NC(=O)N(N=O)C)CC1)N(N=O)C
InChI:   InChI=1/C10H18N6O4/c1-15(13-19)9(17)11-7-3-5-8(6-4-7)12-10(18)16(2)14-20/h7-8H,3-6H2,1-2H3,(H,11,17)(H,12,18)/t7-,8-

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Potential Energy
Epot(MMFF94)=16.8949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.292 g/mol  logS: -1.44074  SlogP: 0.9432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533627  Sterimol/B1: 2.50743  Sterimol/B2: 2.88987  Sterimol/B3: 3.97724
  Sterimol/B4: 5.02085  Sterimol/L: 17.0913 
 
 Surface and Volume Properties
  Accessible surface: 516.145  Positive charged surface: 336.631  Negative charged surface: 179.513  Volume: 249.375
  Hydrophobic surface: 431.15  Hydrophilic surface: 84.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.