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CHEMBLOCK-ZINC03085891

 MMsINC code: MMs00535779
Type: Neutral
Formula: C10H19N5O
SMILES:   O(C)c1nc(nc(n1)NCCC)NCCC
InChI:   InChI=1/C10H19N5O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15)

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Potential Energy
Epot(MMFF94)=-63.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.296 g/mol  logS: -2.95668  SlogP: 1.524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193137  Sterimol/B1: 2.37535  Sterimol/B2: 2.37586  Sterimol/B3: 2.81153
  Sterimol/B4: 6.97251  Sterimol/L: 16.8179 
 
 Surface and Volume Properties
  Accessible surface: 495.796  Positive charged surface: 403.524  Negative charged surface: 92.272  Volume: 232.75
  Hydrophobic surface: 333.599  Hydrophilic surface: 162.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.