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OAKWOOD-ZINC04294137

 MMsINC code: MMs02551752
Type: Neutral
Formula: C10H15N5O
SMILES:   O=C(NN)C1CCN(CC1)c1ncccn1
InChI:   InChI=1/C10H15N5O/c11-14-9(16)8-2-6-15(7-3-8)10-12-4-1-5-13-10/h1,4-5,8H,2-3,6-7,11H2,(H,14,16)

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Potential Energy
Epot(MMFF94)=71.8538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.264 g/mol  logS: -1.38424  SlogP: -0.3171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429406  Sterimol/B1: 2.80247  Sterimol/B2: 3.02609  Sterimol/B3: 3.45828
  Sterimol/B4: 4.2429  Sterimol/L: 14.9978 
 
 Surface and Volume Properties
  Accessible surface: 434.973  Positive charged surface: 345.874  Negative charged surface: 89.0992  Volume: 210.25
  Hydrophobic surface: 276.939  Hydrophilic surface: 158.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.