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NCID-ZINC05849722

 MMsINC code: MMs02507564
Type: Neutral
Formula: C10H18O
SMILES:   OC1C2CC(C1)C(C)(C)C2C
InChI:   InChI=1/C10H18O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.50453  SlogP: 2.0494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.483246  Sterimol/B1: 1.97093  Sterimol/B2: 2.95062  Sterimol/B3: 4.37876
  Sterimol/B4: 5.74726  Sterimol/L: 9.59647 
 
 Surface and Volume Properties
  Accessible surface: 341.966  Positive charged surface: 252.563  Negative charged surface: 89.4031  Volume: 171
  Hydrophobic surface: 244.447  Hydrophilic surface: 97.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.