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PUBCHEM-ZINC04557318

 MMsINC code: MMs03133873
Type: Neutral
Formula: C18H32O4
SMILES:   O(C(=O)CC1CCC(CC1)CCCCCCCC(OC)=O)C
InChI:   InChI=1/C18H32O4/c1-21-17(19)9-7-5-3-4-6-8-15-10-12-16(13-11-15)14-18(20)22-2/h15-16H,3-14H2,1-2H3/t15-,16-

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Potential Energy
Epot(MMFF94)=31.1617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.45 g/mol  logS: -5.62442  SlogP: 4.2596  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0206157  Sterimol/B1: 2.84027  Sterimol/B2: 3.27316  Sterimol/B3: 3.67267
  Sterimol/B4: 6.36612  Sterimol/L: 23.027 
 
 Surface and Volume Properties
  Accessible surface: 659.081  Positive charged surface: 544.642  Negative charged surface: 114.439  Volume: 336
  Hydrophobic surface: 581.322  Hydrophilic surface: 77.759
 
 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.