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PUBCHEM-ZINC05707660

 MMsINC code: MMs03354849
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NCCNC1CC(OCCCC)=O
InChI:   InChI=1/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=40.7534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.01318  SlogP: -0.1922  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0353119  Sterimol/B1: 2.72145  Sterimol/B2: 3.3867  Sterimol/B3: 3.97944
  Sterimol/B4: 4.19299  Sterimol/L: 15.9749 
 
 Surface and Volume Properties
  Accessible surface: 456.594  Positive charged surface: 358.596  Negative charged surface: 97.9983  Volume: 212.25
  Hydrophobic surface: 315.089  Hydrophilic surface: 141.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.