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ASINEX-ZINC04938371

 MMsINC code: MMs00406261
Type: Neutral
Formula: C9H16N4O2
SMILES:   O=C1NC(=NN=C1C)NCCCCCO
InChI:   InChI=1/C9H16N4O2/c1-7-8(15)11-9(13-12-7)10-5-3-2-4-6-14/h14H,2-6H2,1H3,(H2,10,11,13,15)

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Potential Energy
Epot(MMFF94)=16.3851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.253 g/mol  logS: -1.18342  SlogP: -0.3997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180201  Sterimol/B1: 2.37639  Sterimol/B2: 2.4464  Sterimol/B3: 2.51206
  Sterimol/B4: 4.67558  Sterimol/L: 16.7398 
 
 Surface and Volume Properties
  Accessible surface: 462.213  Positive charged surface: 337.45  Negative charged surface: 124.763  Volume: 204.625
  Hydrophobic surface: 263.177  Hydrophilic surface: 199.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.