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NCID-ZINC01571142

 MMsINC code: MMs02231335
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)=96.9174 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: 0.0570246  Sterimol/B1: 3.20861  Sterimol/B2: 3.29471  Sterimol/B3: 3.70415
  Sterimol/B4: 4.92166  Sterimol/L: 18.2634 
 
 Surface and Volume Properties
  Accessible surface: 555.591  Positive charged surface: 357.87  Negative charged surface: 197.722  Volume: 278.125
  Hydrophobic surface: 330.233  Hydrophilic surface: 225.358
 
 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.