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NCID-ZINC01694770

 MMsINC code: MMs02325915
Type: Neutral
Formula: C11H22O3
SMILES:   O(C(=O)C(C(O)C)CCCCC)CC
InChI:   InChI=1/C11H22O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h9-10,12H,4-8H2,1-3H3/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=20.421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.59516  SlogP: 2.1268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557066  Sterimol/B1: 2.98252  Sterimol/B2: 3.03386  Sterimol/B3: 3.80425
  Sterimol/B4: 5.85678  Sterimol/L: 14.1314 
 
 Surface and Volume Properties
  Accessible surface: 469.328  Positive charged surface: 353.415  Negative charged surface: 115.914  Volume: 223.625
  Hydrophobic surface: 341.453  Hydrophilic surface: 127.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.