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PUBCHEM-ZINC06523237

 MMsINC code: MMs03781404
Type: Neutral
Formula: C14H19NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)c2ccccc2C)C1O
InChI:   InChI=1/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.307 g/mol  logS: -1.36698  SlogP: -1.47528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084852  Sterimol/B1: 2.19217  Sterimol/B2: 2.83768  Sterimol/B3: 4.9829
  Sterimol/B4: 6.37421  Sterimol/L: 15.7051 
 
 Surface and Volume Properties
  Accessible surface: 515.428  Positive charged surface: 343.046  Negative charged surface: 172.382  Volume: 266.25
  Hydrophobic surface: 314.217  Hydrophilic surface: 201.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.