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ASINEX-ZINC03881512

 MMsINC code: MMs00291599
Type: Neutral
Formula: C15H28O4
SMILES:   O1CCOCC1CCCCCCCCCCC(O)=O
InChI:   InChI=1/C15H28O4/c16-15(17)10-8-6-4-2-1-3-5-7-9-14-13-18-11-12-19-14/h14H,1-13H2,(H,16,17)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=27.6597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.385 g/mol  logS: -3.59905  SlogP: 3.3874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183626  Sterimol/B1: 2.52692  Sterimol/B2: 3.26253  Sterimol/B3: 3.33808
  Sterimol/B4: 4.18359  Sterimol/L: 21.9923 
 
 Surface and Volume Properties
  Accessible surface: 597.569  Positive charged surface: 499.533  Negative charged surface: 98.0357  Volume: 288.25
  Hydrophobic surface: 480.869  Hydrophilic surface: 116.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00291600
ASINEX-ZINC03881512