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ENAMINE-ZINC03227546

 MMsINC code: MMs01317159
Type: Neutral
Formula: C16H27NO3
SMILES:   O(C(=O)CC1CCCC1)CC(=O)NC1CCCCCC1
InChI:   InChI=1/C16H27NO3/c18-15(17-14-9-3-1-2-4-10-14)12-20-16(19)11-13-7-5-6-8-13/h13-14H,1-12H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=47.7033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -4.32561  SlogP: 2.9489  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0340107  Sterimol/B1: 2.52803  Sterimol/B2: 2.84877  Sterimol/B3: 4.07555
  Sterimol/B4: 4.91113  Sterimol/L: 18.399 
 
 Surface and Volume Properties
  Accessible surface: 571.245  Positive charged surface: 443.473  Negative charged surface: 127.772  Volume: 290.5
  Hydrophobic surface: 494.04  Hydrophilic surface: 77.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.