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NCID-ZINC04533065

 MMsINC code: MMs02390110
Type: Neutral
Formula: C14H21NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCCc1ccccc1
InChI:   InChI=1/C14H21NO6/c16-8-10(17)11(18)12(19)13(20)14(21)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,16-20H,6-8H2,(H,15,21)/t10-,11-,12+,13-/m1/s1

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Potential Energy
Epot(MMFF94)=99.6289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.323 g/mol  logS: -0.57978  SlogP: -2.21883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505992  Sterimol/B1: 2.87369  Sterimol/B2: 3.25073  Sterimol/B3: 3.81652
  Sterimol/B4: 4.9957  Sterimol/L: 18.3384 
 
 Surface and Volume Properties
  Accessible surface: 553.823  Positive charged surface: 355.267  Negative charged surface: 198.556  Volume: 277
  Hydrophobic surface: 334.412  Hydrophilic surface: 219.411
 
 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.