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IBS-ZINC00517495

 MMsINC code: MMs01743805
Type: Neutral
Formula: C16H23NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OCCc1ccccc1
InChI:   InChI=1/C16H23NO6/c1-10(19)17-13-15(21)14(20)12(9-18)23-16(13)22-8-7-11-5-3-2-4-6-11/h2-6,12-16,18,20-21H,7-9H2,1H3,(H,17,19)/t12-,13-,14-,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=87.9471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.361 g/mol  logS: -1.30707  SlogP: -0.81063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659924  Sterimol/B1: 2.15077  Sterimol/B2: 3.28964  Sterimol/B3: 3.55571
  Sterimol/B4: 10.9179  Sterimol/L: 15.4409 
 
 Surface and Volume Properties
  Accessible surface: 591.63  Positive charged surface: 402.952  Negative charged surface: 188.678  Volume: 307
  Hydrophobic surface: 418.026  Hydrophilic surface: 173.604
 
 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.