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CHEMSTAR-ZINC02139141

 MMsINC code: MMs01080365
Type: Neutral
Formula: C7H13NO2
SMILES:   OC(=O)C1NC(CCC1)C
InChI:   InChI=1/C7H13NO2/c1-5-3-2-4-6(8-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=14.6075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.43468  SlogP: 0.6016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147435  Sterimol/B1: 2.45608  Sterimol/B2: 2.92744  Sterimol/B3: 2.9457
  Sterimol/B4: 5.58242  Sterimol/L: 10.5345 
 
 Surface and Volume Properties
  Accessible surface: 329.091  Positive charged surface: 235.165  Negative charged surface: 93.9258  Volume: 145.125
  Hydrophobic surface: 199.748  Hydrophilic surface: 129.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.