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NCID-ZINC05182746

 MMsINC code: MMs02446809
Type: Neutral
Formula: C16H19NO6
SMILES:   O1C2C(OC(OC2)c2ccccc2)C(=O)C(NC(=O)C)C1OC
InChI:   InChI=1/C16H19NO6/c1-9(18)17-12-13(19)14-11(22-16(12)20-2)8-21-15(23-14)10-6-4-3-5-7-10/h3-7,11-12,14-16H,8H2,1-2H3,(H,17,18)/t11-,12+,14+,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=74.6911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.329 g/mol  logS: -2.49942  SlogP: 0.6412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214184  Sterimol/B1: 2.15226  Sterimol/B2: 4.68272  Sterimol/B3: 4.88539
  Sterimol/B4: 8.88015  Sterimol/L: 13.4691 
 
 Surface and Volume Properties
  Accessible surface: 526.906  Positive charged surface: 352.368  Negative charged surface: 174.538  Volume: 293.875
  Hydrophobic surface: 430.094  Hydrophilic surface: 96.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.