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NCID-ZINC04783630

 MMsINC code: MMs02406051
Type: Neutral
Formula: C18H34O6
SMILES:   OC(C(O)CCCCCCCC(O)=O)CCCCCCCC(O)=O
InChI:   InChI=1/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)/t15-,16+

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Potential Energy
Epot(MMFF94)=14.0212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.464 g/mol  logS: -3.24292  SlogP: 3.3388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130236  Sterimol/B1: 2.88363  Sterimol/B2: 3.04056  Sterimol/B3: 3.22442
  Sterimol/B4: 3.62755  Sterimol/L: 27.7754 
 
 Surface and Volume Properties
  Accessible surface: 711.732  Positive charged surface: 533.456  Negative charged surface: 178.276  Volume: 357.75
  Hydrophobic surface: 442.496  Hydrophilic surface: 269.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02406052
NCID-ZINC04783630