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NCID-ZINC04972289

 MMsINC code: MMs02420986
Type: Neutral
Formula: C17H30O4
SMILES:   O(C(=O)CCC1CCC(CC1)CCCCCC(OC)=O)C
InChI:   InChI=1/C17H30O4/c1-20-16(18)7-5-3-4-6-14-8-10-15(11-9-14)12-13-17(19)21-2/h14-15H,3-13H2,1-2H3/t14-,15-

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Potential Energy
Epot(MMFF94)=29.9401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.423 g/mol  logS: -5.1092  SlogP: 3.8695  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0224553  Sterimol/B1: 2.75466  Sterimol/B2: 2.87185  Sterimol/B3: 3.20161
  Sterimol/B4: 6.7698  Sterimol/L: 22.0944 
 
 Surface and Volume Properties
  Accessible surface: 626.032  Positive charged surface: 515.588  Negative charged surface: 110.445  Volume: 318
  Hydrophobic surface: 537.762  Hydrophilic surface: 88.27
 
 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.