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NCID-ZINC01681832

 MMsINC code: MMs02315688
Type: Neutral
Formula: C10H15N5O
SMILES:   O(CCNc1ncnc2n(ncc12)C)CC
InChI:   InChI=1/C10H15N5O/c1-3-16-5-4-11-9-8-6-14-15(2)10(8)13-7-12-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=35.9954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.264 g/mol  logS: -1.80654  SlogP: 1.1709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453197  Sterimol/B1: 2.35904  Sterimol/B2: 2.48899  Sterimol/B3: 4.07819
  Sterimol/B4: 6.29381  Sterimol/L: 14.6716 
 
 Surface and Volume Properties
  Accessible surface: 468.938  Positive charged surface: 397.385  Negative charged surface: 67.0267  Volume: 215.625
  Hydrophobic surface: 345.633  Hydrophilic surface: 123.305
 
 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.