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PUBCHEM-ZINC03074768

 MMsINC code: MMs02989829
Type: Neutral
Formula: C10H18O
SMILES:   O=C1C(C)(C)C(CCC1C)C
InChI:   InChI=1/C10H18O/c1-7-5-6-8(2)10(3,4)9(7)11/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=36.2974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -1.87386  SlogP: 2.6477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255309  Sterimol/B1: 3.15399  Sterimol/B2: 3.64723  Sterimol/B3: 3.7214
  Sterimol/B4: 4.66303  Sterimol/L: 9.96428 
 
 Surface and Volume Properties
  Accessible surface: 349.739  Positive charged surface: 246.484  Negative charged surface: 103.255  Volume: 176.625
  Hydrophobic surface: 256.058  Hydrophilic surface: 93.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.