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NCID-ZINC01641546

 MMsINC code: MMs02283528
Type: Neutral
Formula: C10H15N5O
SMILES:   O(CCCNc1ncnc2n(ncc12)C)C
InChI:   InChI=1/C10H15N5O/c1-15-10-8(6-14-15)9(12-7-13-10)11-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=30.3664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.264 g/mol  logS: -1.6811  SlogP: 1.1709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155764  Sterimol/B1: 2.37529  Sterimol/B2: 2.51304  Sterimol/B3: 3.85794
  Sterimol/B4: 5.07589  Sterimol/L: 16.4992 
 
 Surface and Volume Properties
  Accessible surface: 467.744  Positive charged surface: 409.592  Negative charged surface: 52.5918  Volume: 216.75
  Hydrophobic surface: 362.805  Hydrophilic surface: 104.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.