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MAYBRIDGE-ZINC04368193

 MMsINC code: MMs02171739
Type: Neutral
Formula: C11H20O
SMILES:   OC1C2CC(CC2C(C)(C)C)C1
InChI:   InChI=1/C11H20O/c1-11(2,3)9-5-7-4-8(9)10(12)6-7/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.28 g/mol  logS: -3.01975  SlogP: 2.4395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.396819  Sterimol/B1: 2.03832  Sterimol/B2: 3.84784  Sterimol/B3: 4.46442
  Sterimol/B4: 5.07069  Sterimol/L: 9.50743 
 
 Surface and Volume Properties
  Accessible surface: 356.048  Positive charged surface: 261.628  Negative charged surface: 94.4197  Volume: 185.75
  Hydrophobic surface: 265.619  Hydrophilic surface: 90.429
 
 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.