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ASINEX-ZINC02599517

 MMsINC code: MMs00275694
Type: Neutral
Formula: C8H15N3O3
SMILES:   OC(=O)CCN1CCN(CC1)C(=O)N
InChI:   InChI=1/C8H15N3O3/c9-8(14)11-5-3-10(4-6-11)2-1-7(12)13/h1-6H2,(H2,9,14)(H,12,13)

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Potential Energy
Epot(MMFF94)=4.11548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.226 g/mol  logS: 0.47118  SlogP: -0.8426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625129  Sterimol/B1: 2.41735  Sterimol/B2: 2.70112  Sterimol/B3: 3.25992
  Sterimol/B4: 5.00577  Sterimol/L: 13.6371 
 
 Surface and Volume Properties
  Accessible surface: 397.808  Positive charged surface: 300.753  Negative charged surface: 97.0544  Volume: 184.375
  Hydrophobic surface: 193.962  Hydrophilic surface: 203.846
 
 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.