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CHEMBRIDGE-ZINC04956318

 MMsINC code: MMs00815291
Type: Neutral
Formula: C14H27NO4
SMILES:   OC(=O)CCCCC(N)CCCCCCCC(O)=O
InChI:   InChI=1/C14H27NO4/c15-12(9-6-7-11-14(18)19)8-4-2-1-3-5-10-13(16)17/h12H,1-11,15H2,(H,16,17)(H,18,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.12865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.373 g/mol  logS: -1.7937  SlogP: 2.774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199518  Sterimol/B1: 2.76026  Sterimol/B2: 3.2489  Sterimol/B3: 3.32798
  Sterimol/B4: 3.64677  Sterimol/L: 22.7601 
 
 Surface and Volume Properties
  Accessible surface: 588.372  Positive charged surface: 440.607  Negative charged surface: 147.765  Volume: 284.875
  Hydrophobic surface: 344.982  Hydrophilic surface: 243.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00815292
CHEMBRIDGE-ZINC04956318