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PUBCHEM-ZINC04203198

 MMsINC code: MMs03099497
Type: Neutral
Formula: C7H13NO2
SMILES:   O=C1NC(CC1CC)CO
InChI:   InChI=1/C7H13NO2/c1-2-5-3-6(4-9)8-7(5)10/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=19.8128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.51009  SlogP: -0.1066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140152  Sterimol/B1: 2.56138  Sterimol/B2: 3.53096  Sterimol/B3: 3.59013
  Sterimol/B4: 3.72944  Sterimol/L: 11.2289 
 
 Surface and Volume Properties
  Accessible surface: 331.574  Positive charged surface: 250.134  Negative charged surface: 81.44  Volume: 145.875
  Hydrophobic surface: 194.096  Hydrophilic surface: 137.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.