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ENAMINE-ZINC03237526

 MMsINC code: MMs01322842
Type: Neutral
Formula: C16H27NO3
SMILES:   O(C(=O)CC1CCCC1)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C16H27NO3/c1-12-6-5-7-13(2)17(12)15(18)11-20-16(19)10-14-8-3-4-9-14/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=66.2933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -3.64183  SlogP: 2.8994  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0585561  Sterimol/B1: 2.30481  Sterimol/B2: 2.75656  Sterimol/B3: 5.19108
  Sterimol/B4: 6.11648  Sterimol/L: 16.4513 
 
 Surface and Volume Properties
  Accessible surface: 550.308  Positive charged surface: 418.264  Negative charged surface: 132.044  Volume: 292.125
  Hydrophobic surface: 461.541  Hydrophilic surface: 88.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.