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CHEMBRIDGE-ZINC04990119

 MMsINC code: MMs00822411
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N1C(CCCC1C)C
InChI:   InChI=1/C15H25NO3/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=74.6064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.15731  SlogP: 2.6669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29972  Sterimol/B1: 2.16405  Sterimol/B2: 2.30768  Sterimol/B3: 5.76814
  Sterimol/B4: 6.5977  Sterimol/L: 11.5886 
 
 Surface and Volume Properties
  Accessible surface: 464.043  Positive charged surface: 343.847  Negative charged surface: 120.197  Volume: 269.125
  Hydrophobic surface: 349.047  Hydrophilic surface: 114.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00822412
CHEMBRIDGE-ZINC04990119