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NCID-ZINC04684033

 MMsINC code: MMs02393313
Type: Neutral
Formula: C15H28O3
SMILES:   O1CCCC1CCCOC(=O)C(CCCC)CC
InChI:   InChI=1/C15H28O3/c1-3-5-8-13(4-2)15(16)18-12-7-10-14-9-6-11-17-14/h13-14H,3-12H2,1-2H3/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=27.892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.386 g/mol  logS: -3.56905  SlogP: 3.7052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311973  Sterimol/B1: 2.19196  Sterimol/B2: 2.87908  Sterimol/B3: 3.36988
  Sterimol/B4: 8.64508  Sterimol/L: 17.6253 
 
 Surface and Volume Properties
  Accessible surface: 578.927  Positive charged surface: 464.508  Negative charged surface: 114.418  Volume: 283.625
  Hydrophobic surface: 502.191  Hydrophilic surface: 76.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.