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PUBCHEM-ZINC06042411

 MMsINC code: MMs03509184
Type: Ionized
Formula: C15H24NO3-
SMILES:   O=C(NC(CCCCC)C)C1CC=CCC1C(=O)[O-]
InChI:   InChI=1/C15H25NO3/c1-3-4-5-8-11(2)16-14(17)12-9-6-7-10-13(12)15(18)19/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=-9.96228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.361 g/mol  logS: -2.35271  SlogP: 1.4037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128993  Sterimol/B1: 2.85052  Sterimol/B2: 3.32681  Sterimol/B3: 4.36903
  Sterimol/B4: 7.61119  Sterimol/L: 13.8372 
 
 Surface and Volume Properties
  Accessible surface: 516.588  Positive charged surface: 356.651  Negative charged surface: 159.936  Volume: 279.875
  Hydrophobic surface: 365.733  Hydrophilic surface: 150.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs03509183
PUBCHEM-ZINC06042411