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PUBCHEM-ZINC05857416

 MMsINC code: MMs03420452
Type: Neutral
Formula: C10H20N4O3
SMILES:   O(C(=O)C(NC(=O)C)CCCN=C(N)N)CC
InChI:   InChI=1/C10H20N4O3/c1-3-17-9(16)8(14-7(2)15)5-4-6-13-10(11)12/h8H,3-6H2,1-2H3,(H,14,15)(H4,11,12,13)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=13.6985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.295 g/mol  logS: -1.22993  SlogP: -0.8922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740148  Sterimol/B1: 2.35208  Sterimol/B2: 3.18581  Sterimol/B3: 3.34182
  Sterimol/B4: 7.88703  Sterimol/L: 15.6607 
 
 Surface and Volume Properties
  Accessible surface: 518.025  Positive charged surface: 392.236  Negative charged surface: 125.79  Volume: 237.875
  Hydrophobic surface: 281.339  Hydrophilic surface: 236.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03420453
PUBCHEM-ZINC05857416