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NCID-ZINC01561496

 MMsINC code: MMs02223620
Type: Neutral
Formula: C17H30O4
SMILES:   O1CCCC1CCC(OC(=O)CCC)CCC1OCCC1
InChI:   InChI=1/C17H30O4/c1-2-5-17(18)21-16(10-8-14-6-3-12-19-14)11-9-15-7-4-13-20-15/h14-16H,2-13H2,1H3/t14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=41.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.423 g/mol  logS: -2.92018  SlogP: 3.6167  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0598298  Sterimol/B1: 2.14282  Sterimol/B2: 3.42949  Sterimol/B3: 3.45398
  Sterimol/B4: 10.7655  Sterimol/L: 16.7992 
 
 Surface and Volume Properties
  Accessible surface: 611.62  Positive charged surface: 502.219  Negative charged surface: 109.401  Volume: 319.125
  Hydrophobic surface: 553.148  Hydrophilic surface: 58.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.