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NCID-ZINC01729606

 MMsINC code: MMs02352732
Type: Neutral
Formula: C8H14N2O4
SMILES:   OC(=O)CN1CCN(CC1)CC(O)=O
InChI:   InChI=1/C8H14N2O4/c11-7(12)5-9-1-2-10(4-3-9)6-8(13)14/h1-6H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=74.0645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: 0.47316  SlogP: -1.2268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723897  Sterimol/B1: 2.36742  Sterimol/B2: 2.61319  Sterimol/B3: 3.20285
  Sterimol/B4: 4.79703  Sterimol/L: 13.2823 
 
 Surface and Volume Properties
  Accessible surface: 391.325  Positive charged surface: 297.528  Negative charged surface: 93.7966  Volume: 183.375
  Hydrophobic surface: 200.223  Hydrophilic surface: 191.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02352733
NCID-ZINC01729606