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PUBCHEM-ZINC04530896

 MMsINC code: MMs03129715
Type: Neutral
Formula: C14H19NO6
SMILES:   O1C(CO)C(O)C(NC(=O)c2ccccc2)C(O)C1OC
InChI:   InChI=1/C14H19NO6/c1-20-14-12(18)10(11(17)9(7-16)21-14)15-13(19)8-5-3-2-4-6-8/h2-6,9-12,14,16-18H,7H2,1H3,(H,15,19)/t9-,10+,11+,12-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.7192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.307 g/mol  logS: -1.23824  SlogP: -1.1296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060376  Sterimol/B1: 2.2341  Sterimol/B2: 2.48279  Sterimol/B3: 3.79214
  Sterimol/B4: 7.27517  Sterimol/L: 15.315 
 
 Surface and Volume Properties
  Accessible surface: 529.138  Positive charged surface: 377.938  Negative charged surface: 151.2  Volume: 269.75
  Hydrophobic surface: 373.758  Hydrophilic surface: 155.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.