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NCID-ZINC00478220

 MMsINC code: MMs02217153
Type: Neutral
Formula: C10H18O3
SMILES:   OC1CCCCCCC1(C(O)=O)C
InChI:   InChI=1/C10H18O3/c1-10(9(12)13)7-5-3-2-4-6-8(10)11/h8,11H,2-7H2,1H3,(H,12,13)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=71.1314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.251 g/mol  logS: -1.6419  SlogP: 1.7924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.394888  Sterimol/B1: 2.05351  Sterimol/B2: 3.68888  Sterimol/B3: 4.49601
  Sterimol/B4: 4.88571  Sterimol/L: 10.1581 
 
 Surface and Volume Properties
  Accessible surface: 364.171  Positive charged surface: 260.99  Negative charged surface: 103.182  Volume: 186.375
  Hydrophobic surface: 235.573  Hydrophilic surface: 128.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02217154
NCID-ZINC00478220