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BACHEM-ZINC04899452

 MMsINC code: MMs00484900
Type: Neutral
Formula: C9H17NO2
SMILES:   O(C(=O)C1NCCC1)C(C)(C)C
InChI:   InChI=1/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=48.5264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.24 g/mol  logS: -1.29966  SlogP: 1.0801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118331  Sterimol/B1: 2.03789  Sterimol/B2: 3.30621  Sterimol/B3: 3.59962
  Sterimol/B4: 4.73848  Sterimol/L: 11.6619 
 
 Surface and Volume Properties
  Accessible surface: 393.95  Positive charged surface: 297.119  Negative charged surface: 96.8304  Volume: 182.125
  Hydrophobic surface: 290.028  Hydrophilic surface: 103.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.