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NCID-ZINC01757718

 MMsINC code: MMs02365532
Type: Neutral
Formula: C10H14N4O3
SMILES:   O1CCN(CC1)C(=O)CN1C=CC(=NC1=O)N
InChI:   InChI=1/C10H14N4O3/c11-8-1-2-14(10(16)12-8)7-9(15)13-3-5-17-6-4-13/h1-2H,3-7H2,(H2,11,12,16)

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Potential Energy
Epot(MMFF94)=38.0714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.247 g/mol  logS: -0.86588  SlogP: -0.8483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957259  Sterimol/B1: 2.6003  Sterimol/B2: 3.40479  Sterimol/B3: 3.83957
  Sterimol/B4: 4.91561  Sterimol/L: 13.864 
 
 Surface and Volume Properties
  Accessible surface: 434.249  Positive charged surface: 317.966  Negative charged surface: 116.283  Volume: 213.625
  Hydrophobic surface: 258.687  Hydrophilic surface: 175.562
 
 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.