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PUBCHEM-ZINC02981125

 MMsINC code: MMs02973346
Type: Neutral
Formula: C14H23NO5
SMILES:   O(CCOCCNCCO)c1c(OC)cccc1OC
InChI:   InChI=1/C14H23NO5/c1-17-12-4-3-5-13(18-2)14(12)20-11-10-19-9-7-15-6-8-16/h3-5,15-16H,6-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.7417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.34 g/mol  logS: -1.24306  SlogP: 0.6811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469131  Sterimol/B1: 1.969  Sterimol/B2: 3.16871  Sterimol/B3: 3.56765
  Sterimol/B4: 8.0114  Sterimol/L: 15.4396 
 
 Surface and Volume Properties
  Accessible surface: 584.688  Positive charged surface: 505.093  Negative charged surface: 79.5945  Volume: 286.375
  Hydrophobic surface: 510.496  Hydrophilic surface: 74.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02973347
PUBCHEM-ZINC02981125