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ACROSORGANICS-ZINC00968031

 MMsINC code: MMs00008380
Type: Neutral
Formula: C10H14O
SMILES:   O=CC=1C2CC(CC=1)C2(C)C
InChI:   InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.83869  SlogP: 2.1777  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.472276  Sterimol/B1: 3.55746  Sterimol/B2: 3.66697  Sterimol/B3: 3.93022
  Sterimol/B4: 4.8648  Sterimol/L: 9.6573 
 
 Surface and Volume Properties
  Accessible surface: 337.5  Positive charged surface: 180.208  Negative charged surface: 83.6537  Volume: 162.75
  Hydrophobic surface: 235.239  Hydrophilic surface: 102.261
 
 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.