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ACROSORGANICS-ZINC00967521

 MMsINC code: MMs00008355
Type: Neutral
Formula: C10H16O
SMILES:   O=C1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=56.229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -2.08527  SlogP: 2.4017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.839815  Sterimol/B1: 2.05457  Sterimol/B2: 3.52099  Sterimol/B3: 4.53041
  Sterimol/B4: 6.15439  Sterimol/L: 7.9397 
 
 Surface and Volume Properties
  Accessible surface: 333.2  Positive charged surface: 218.662  Negative charged surface: 114.538  Volume: 167.375
  Hydrophobic surface: 248.221  Hydrophilic surface: 84.979
 
 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.