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NCID-ZINC04990562

 MMsINC code: MMs02424650
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C)C1CCCCCCCCC1OC(=O)C
InChI:   InChI=1/C14H24O4/c1-11(15)17-13-9-7-5-3-4-6-8-10-14(13)18-12(2)16/h13-14H,3-10H2,1-2H3/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=84.6502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.4384  SlogP: 2.9842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168336  Sterimol/B1: 2.57245  Sterimol/B2: 2.64455  Sterimol/B3: 3.96394
  Sterimol/B4: 8.34695  Sterimol/L: 11.7341 
 
 Surface and Volume Properties
  Accessible surface: 496.266  Positive charged surface: 337.277  Negative charged surface: 158.989  Volume: 263.125
  Hydrophobic surface: 431.468  Hydrophilic surface: 64.798
 
 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.