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NCID-ZINC01649627

 MMsINC code: MMs02289582
Type: Neutral
Formula: C9H16N4O5
SMILES:   O(CC)C(=O)NCC(=O)NCC(=O)NCC(=O)N
InChI:   InChI=1/C9H16N4O5/c1-2-18-9(17)13-5-8(16)12-4-7(15)11-3-6(10)14/h2-5H2,1H3,(H2,10,14)(H,11,15)(H,12,16)(H,13,17)

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Potential Energy
Epot(MMFF94)=21.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.25 g/mol  logS: -0.79084  SlogP: -2.5498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00851426  Sterimol/B1: 2.37497  Sterimol/B2: 2.3756  Sterimol/B3: 2.77161
  Sterimol/B4: 4.00894  Sterimol/L: 20.2277 
 
 Surface and Volume Properties
  Accessible surface: 521.285  Positive charged surface: 375.931  Negative charged surface: 145.354  Volume: 231.5
  Hydrophobic surface: 206.516  Hydrophilic surface: 314.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.