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PUBCHEM-ZINC04228139

 MMsINC code: MMs03104028
Type: Neutral
Formula: C10H15IO
SMILES:   ICC12CCC(CC1=O)C2(C)C
InChI:   InChI=1/C10H15IO/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7H,3-6H2,1-2H3/t7-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=60.0683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.133 g/mol  logS: -3.56633  SlogP: 2.8168  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.83637  Sterimol/B1: 2.29201  Sterimol/B2: 2.54306  Sterimol/B3: 5.32858
  Sterimol/B4: 5.98723  Sterimol/L: 9.5692 
 
 Surface and Volume Properties
  Accessible surface: 371.342  Positive charged surface: 198.187  Negative charged surface: 173.155  Volume: 199.125
  Hydrophobic surface: 312.137  Hydrophilic surface: 59.205
 
 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.