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AURORAFEINCHEMIE-ZINC03881575

 MMsINC code: MMs00457553
Type: Neutral
Formula: C10H19NO3
SMILES:   O1CCC(CC1(C)C)C(N)CC(O)=O
InChI:   InChI=1/C10H19NO3/c1-10(2)6-7(3-4-14-10)8(11)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=32.2006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -0.58543  SlogP: 0.9936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131381  Sterimol/B1: 1.969  Sterimol/B2: 3.79669  Sterimol/B3: 4.56645
  Sterimol/B4: 4.68203  Sterimol/L: 13.1133 
 
 Surface and Volume Properties
  Accessible surface: 406.352  Positive charged surface: 296.348  Negative charged surface: 110.004  Volume: 200.875
  Hydrophobic surface: 225.094  Hydrophilic surface: 181.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.