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NCID-ZINC01674885

 MMsINC code: MMs02310294
Type: Neutral
Formula: C13H26O3
SMILES:   O1C(COC1CCCCCC)CCCCO
InChI:   InChI=1/C13H26O3/c1-2-3-4-5-9-13-15-11-12(16-13)8-6-7-10-14/h12-14H,2-11H2,1H3/t12-,13+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.348 g/mol  logS: -2.89802  SlogP: 2.8609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288768  Sterimol/B1: 2.93443  Sterimol/B2: 3.11867  Sterimol/B3: 3.40622
  Sterimol/B4: 5.13086  Sterimol/L: 19.2349 
 
 Surface and Volume Properties
  Accessible surface: 540.199  Positive charged surface: 451.314  Negative charged surface: 88.8854  Volume: 256.375
  Hydrophobic surface: 446.433  Hydrophilic surface: 93.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.