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NCID-ZINC04533061

 MMsINC code: MMs02390106
Type: Neutral
Formula: C13H19NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCc1ccccc1
InChI:   InChI=1/C13H19NO6/c15-7-9(16)10(17)11(18)12(19)13(20)14-6-8-4-2-1-3-5-8/h1-5,9-12,15-19H,6-7H2,(H,14,20)/t9-,10-,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=88.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.296 g/mol  logS: -0.51831  SlogP: -1.9949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867465  Sterimol/B1: 2.34681  Sterimol/B2: 3.4834  Sterimol/B3: 3.72379
  Sterimol/B4: 6.61756  Sterimol/L: 15.3049 
 
 Surface and Volume Properties
  Accessible surface: 525.339  Positive charged surface: 329.969  Negative charged surface: 195.37  Volume: 259
  Hydrophobic surface: 298.071  Hydrophilic surface: 227.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.