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PUBCHEM-ZINC03634384

 MMsINC code: MMs03028874
Type: Neutral
Formula: C10H19NO2
SMILES:   O1CCCC(N2CCCCC2)C1O
InChI:   InChI=1/C10H19NO2/c12-10-9(5-4-8-13-10)11-6-2-1-3-7-11/h9-10,12H,1-8H2/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=29.0522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -0.61579  SlogP: 0.9697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112545  Sterimol/B1: 3.05649  Sterimol/B2: 3.17578  Sterimol/B3: 3.5565
  Sterimol/B4: 3.84296  Sterimol/L: 12.0407 
 
 Surface and Volume Properties
  Accessible surface: 386.531  Positive charged surface: 324.42  Negative charged surface: 62.1112  Volume: 191.25
  Hydrophobic surface: 331.477  Hydrophilic surface: 55.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03028875
PUBCHEM-ZINC03634384