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NCID-ZINC04684022

 MMsINC code: MMs02393309
Type: Neutral
Formula: C13H26O4
SMILES:   O1CCCC1CCC(O)CCC(O)CCCO
InChI:   InChI=1/C13H26O4/c14-9-1-3-11(15)5-6-12(16)7-8-13-4-2-10-17-13/h11-16H,1-10H2/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=28.8209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.347 g/mol  logS: -0.88856  SlogP: 1.2201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344702  Sterimol/B1: 3.04085  Sterimol/B2: 3.23969  Sterimol/B3: 3.59554
  Sterimol/B4: 3.66253  Sterimol/L: 19.2239 
 
 Surface and Volume Properties
  Accessible surface: 534.484  Positive charged surface: 437.909  Negative charged surface: 96.5746  Volume: 260.25
  Hydrophobic surface: 399.473  Hydrophilic surface: 135.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.