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CHEMSTAR-ZINC04015912

 MMsINC code: MMs01087159
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+/m1/s1

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Potential Energy
Epot(MMFF94)=24.4258 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: 0.270864  Sterimol/B1: 2.26349  Sterimol/B2: 2.54053  Sterimol/B3: 3.86856
  Sterimol/B4: 5.37955  Sterimol/L: 9.7893 
 
 Surface and Volume Properties
  Accessible surface: 323.32  Positive charged surface: 227.934  Negative charged surface: 95.3859  Volume: 144.125
  Hydrophobic surface: 191.529  Hydrophilic surface: 131.791
 
 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.