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ACROSORGANICS-ZINC02038947

MMsINC code: MMs00012627

Type: Neutral
Formula: C10H22O
SMILES:   OC(CCCCCC)CCC
InChI:   InChI=1/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=2.97558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -3.02206  SlogP: 3.1178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428553  Sterimol/B1: 2.70273  Sterimol/B2: 3.15612  Sterimol/B3: 3.16344
  Sterimol/B4: 3.18212  Sterimol/L: 15.9622 
 
 Surface and Volume Properties
  Accessible surface: 436.113  Positive charged surface: 346.804  Negative charged surface: 89.3082  Volume: 196
  Hydrophobic surface: 352.327  Hydrophilic surface: 83.786
 
 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.