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NCID-ZINC01664382

 MMsINC code: MMs02300639
Type: Neutral
Formula: C10H18O4
SMILES:   OC(=O)C(C(CCC)C(O)=O)CCC
InChI:   InChI=1/C10H18O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=9.85489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.81048  SlogP: 1.9882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288111  Sterimol/B1: 2.48811  Sterimol/B2: 2.66549  Sterimol/B3: 5.20031
  Sterimol/B4: 6.4258  Sterimol/L: 12.2063 
 
 Surface and Volume Properties
  Accessible surface: 422.867  Positive charged surface: 291.039  Negative charged surface: 131.828  Volume: 201.75
  Hydrophobic surface: 222.32  Hydrophilic surface: 200.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02300640
NCID-ZINC01664382