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PUBCHEM-ZINC03106352

 MMsINC code: MMs02994806
Type: Neutral
Formula: C10H16O
SMILES:   OC1(CCCCC1)C1CC1=C
InChI:   InChI=1/C10H16O/c1-8-7-9(8)10(11)5-3-2-4-6-10/h9,11H,1-7H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=42.3313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -1.46565  SlogP: 2.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281709  Sterimol/B1: 2.36982  Sterimol/B2: 2.41066  Sterimol/B3: 4.24492
  Sterimol/B4: 4.69504  Sterimol/L: 10.1352 
 
 Surface and Volume Properties
  Accessible surface: 355.126  Positive charged surface: 246.504  Negative charged surface: 108.623  Volume: 171.625
  Hydrophobic surface: 293.935  Hydrophilic surface: 61.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.