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PUBCHEM-ZINC00363886

 MMsINC code: MMs02663344
Type: Neutral
Formula: C14H18O4
SMILES:   O(C(=O)c1ccccc1OC)C1CCCCC1O
InChI:   InChI=1/C14H18O4/c1-17-12-8-4-2-6-10(12)14(16)18-13-9-5-3-7-11(13)15/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3/t11-,13+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.294 g/mol  logS: -2.57037  SlogP: 2.1555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596502  Sterimol/B1: 2.53949  Sterimol/B2: 2.97435  Sterimol/B3: 3.75457
  Sterimol/B4: 7.34401  Sterimol/L: 13.9397 
 
 Surface and Volume Properties
  Accessible surface: 483.369  Positive charged surface: 355.06  Negative charged surface: 128.308  Volume: 246
  Hydrophobic surface: 417.865  Hydrophilic surface: 65.504
 
 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.