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NCID-ZINC01676163

 MMsINC code: MMs02311394
Type: Neutral
Formula: C10H17N3O4
SMILES:   O=C1N(CCO)C(=O)NC=C1N(CCO)CC
InChI:   InChI=1/C10H17N3O4/c1-2-12(3-5-14)8-7-11-10(17)13(4-6-15)9(8)16/h7,14-15H,2-6H2,1H3,(H,11,17)

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Potential Energy
Epot(MMFF94)=44.0846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.263 g/mol  logS: -0.19263  SlogP: -1.3139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213357  Sterimol/B1: 2.20471  Sterimol/B2: 3.18419  Sterimol/B3: 4.11008
  Sterimol/B4: 7.10759  Sterimol/L: 11.7365 
 
 Surface and Volume Properties
  Accessible surface: 446.363  Positive charged surface: 356.241  Negative charged surface: 90.1222  Volume: 223.375
  Hydrophobic surface: 247.577  Hydrophilic surface: 198.786
 
 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.