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CHEMBRIDGE-ZINC04956319

 MMsINC code: MMs00815293
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.59025 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: 0.0198274  Sterimol/B1: 2.76843  Sterimol/B2: 3.2298  Sterimol/B3: 3.32734
  Sterimol/B4: 3.6789  Sterimol/L: 22.7582 
 
 Surface and Volume Properties
  Accessible surface: 592.199  Positive charged surface: 442.3  Negative charged surface: 149.899  Volume: 285.875
  Hydrophobic surface: 348.851  Hydrophilic surface: 243.348
 
 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


MMs00815294
CHEMBRIDGE-ZINC04956319