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ASINEX-ZINC02255580

 MMsINC code: MMs00266443
Type: Neutral
Formula: C10H18O
SMILES:   OC/1CCCC\C\1=C/C(C)C
InChI:   InChI=1/C10H18O/c1-8(2)7-9-5-3-4-6-10(9)11/h7-8,10-11H,3-6H2,1-2H3/b9-7+/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=26.1906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.20418  SlogP: 2.5037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168498  Sterimol/B1: 2.04363  Sterimol/B2: 3.48912  Sterimol/B3: 4.6149
  Sterimol/B4: 5.11826  Sterimol/L: 10.7994 
 
 Surface and Volume Properties
  Accessible surface: 377.757  Positive charged surface: 289.53  Negative charged surface: 88.2273  Volume: 180.5
  Hydrophobic surface: 287.863  Hydrophilic surface: 89.894
 
 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


MMs00266444
ASINEX-ZINC02255580