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ACROSORGANICS-ZINC01529820

 MMsINC code: MMs00008892
Type: Neutral
Formula: C10H18O
SMILES:   OC(CCC=C(C)C)(C=C)C
InChI:   InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=34.2936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.07906  SlogP: 2.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152909  Sterimol/B1: 2.28361  Sterimol/B2: 2.55573  Sterimol/B3: 4.27151
  Sterimol/B4: 4.68277  Sterimol/L: 12.3385 
 
 Surface and Volume Properties
  Accessible surface: 393.593  Positive charged surface: 259.923  Negative charged surface: 133.67  Volume: 185.5
  Hydrophobic surface: 292.782  Hydrophilic surface: 100.811
 
 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.