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PUBCHEM-ZINC06692594

 MMsINC code: MMs03840224
Type: Neutral
Formula: C16H23NO6
SMILES:   O1C(CO)C(O)C(OC)C(NC(=O)C)C1OCc1ccccc1
InChI:   InChI=1/C16H23NO6/c1-10(19)17-13-15(21-2)14(20)12(8-18)23-16(13)22-9-11-6-4-3-5-7-11/h3-7,12-16,18,20H,8-9H2,1-2H3,(H,17,19)/t12-,13-,14+,15+,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.0297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.361 g/mol  logS: -1.59078  SlogP: 0.0674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100776  Sterimol/B1: 2.2311  Sterimol/B2: 3.24301  Sterimol/B3: 4.25695
  Sterimol/B4: 10.1769  Sterimol/L: 14.8551 
 
 Surface and Volume Properties
  Accessible surface: 578.677  Positive charged surface: 417.174  Negative charged surface: 161.503  Volume: 305.875
  Hydrophobic surface: 446.075  Hydrophilic surface: 132.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.