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PUBCHEM-ZINC02030966

 MMsINC code: MMs02858919
Type: Neutral
Formula: C18H36O3
SMILES:   O(CCOCCO)C1CCC(CC1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C18H36O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h15-16,19H,6-14H2,1-5H3/t15-,16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=184.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.483 g/mol  logS: -5.26618  SlogP: 4.0331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130898  Sterimol/B1: 3.32311  Sterimol/B2: 4.13051  Sterimol/B3: 5.26358
  Sterimol/B4: 5.82048  Sterimol/L: 14.4662 
 
 Surface and Volume Properties
  Accessible surface: 572.606  Positive charged surface: 459.489  Negative charged surface: 113.116  Volume: 328.625
  Hydrophobic surface: 453.165  Hydrophilic surface: 119.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.