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NCID-ZINC01586581

 MMsINC code: MMs02242654
Type: Neutral
Formula: C15H28O3
SMILES:   O(C(=O)CCC1CCCCC1)CCOCCCC
InChI:   InChI=1/C15H28O3/c1-2-3-11-17-12-13-18-15(16)10-9-14-7-5-4-6-8-14/h14H,2-13H2,1H3

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Potential Energy
Epot(MMFF94)=23.0619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.386 g/mol  logS: -4.38396  SlogP: 3.7068  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0265214  Sterimol/B1: 2.21415  Sterimol/B2: 2.57646  Sterimol/B3: 3.21714
  Sterimol/B4: 7.62336  Sterimol/L: 18.3129 
 
 Surface and Volume Properties
  Accessible surface: 584.725  Positive charged surface: 476.612  Negative charged surface: 108.114  Volume: 282.25
  Hydrophobic surface: 518.767  Hydrophilic surface: 65.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.