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PUBCHEM-ZINC03106353

 MMsINC code: MMs02994807
Type: Neutral
Formula: C10H16O
SMILES:   OC1(CCCCC1)C1CC1=C
InChI:   InChI=1/C10H16O/c1-8-7-9(8)10(11)5-3-2-4-6-10/h9,11H,1-7H2/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.0437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.237 g/mol  logS: -1.46565  SlogP: 2.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174476  Sterimol/B1: 2.59725  Sterimol/B2: 2.65309  Sterimol/B3: 3.8161
  Sterimol/B4: 4.64325  Sterimol/L: 11.1414 
 
 Surface and Volume Properties
  Accessible surface: 360.267  Positive charged surface: 253.059  Negative charged surface: 107.208  Volume: 173.125
  Hydrophobic surface: 303.039  Hydrophilic surface: 57.228
 
 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.