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ALFAAESAR-ZINC00968128

 MMsINC code: MMs00021141
Type: Neutral
Formula: C10H18O
SMILES:   OC1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.3964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -1.56418  SlogP: 2.1935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.473304  Sterimol/B1: 3.09703  Sterimol/B2: 3.37676  Sterimol/B3: 4.17981
  Sterimol/B4: 4.36389  Sterimol/L: 9.1607 
 
 Surface and Volume Properties
  Accessible surface: 345.327  Positive charged surface: 255.028  Negative charged surface: 90.2991  Volume: 173.125
  Hydrophobic surface: 262.027  Hydrophilic surface: 83.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.