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PUBCHEM-ZINC04203176

 MMsINC code: MMs03099469
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)C1NCC(C1)C)CC
InChI:   InChI=1/C8H15NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=33.7997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.84701  SlogP: 0.5475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751479  Sterimol/B1: 2.71517  Sterimol/B2: 3.15835  Sterimol/B3: 3.3717
  Sterimol/B4: 4.42048  Sterimol/L: 12.8191 
 
 Surface and Volume Properties
  Accessible surface: 381.73  Positive charged surface: 299.089  Negative charged surface: 82.6408  Volume: 166.375
  Hydrophobic surface: 275.757  Hydrophilic surface: 105.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.