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NCID-ZINC04415972

 MMsINC code: MMs02385985
Type: Neutral
Formula: C20H38O2
SMILES:   O(C(CCC(CCCC)CC)C)C(=O)CCC1CCCCC1
InChI:   InChI=1/C20H38O2/c1-4-6-10-18(5-2)14-13-17(3)22-20(21)16-15-19-11-8-7-9-12-19/h17-19H,4-16H2,1-3H3/t17-,18+/m1/s1

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Potential Energy
Epot(MMFF94)=29.7775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.522 g/mol  logS: -7.65985  SlogP: 6.2752  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.050436  Sterimol/B1: 2.50136  Sterimol/B2: 3.45336  Sterimol/B3: 4.23815
  Sterimol/B4: 10.6864  Sterimol/L: 18.3197 
 
 Surface and Volume Properties
  Accessible surface: 676.46  Positive charged surface: 525.329  Negative charged surface: 151.131  Volume: 362
  Hydrophobic surface: 582.717  Hydrophilic surface: 93.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.