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AURORAFEINCHEMIE-ZINC04073856

 MMsINC code: MMs00466649
Type: Neutral
Formula: C10H16O
SMILES:   OC1(CCC(C(C)=C)C1=C)C
InChI:   InChI=1/C10H16O/c1-7(2)9-5-6-10(4,11)8(9)3/h9,11H,1,3,5-6H2,2,4H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=31.5033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -1.98342  SlogP: 2.2797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300288  Sterimol/B1: 2.07795  Sterimol/B2: 3.91255  Sterimol/B3: 4.13332
  Sterimol/B4: 4.77493  Sterimol/L: 10.605 
 
 Surface and Volume Properties
  Accessible surface: 354.124  Positive charged surface: 232.809  Negative charged surface: 121.315  Volume: 175.125
  Hydrophobic surface: 248.225  Hydrophilic surface: 105.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.