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CHEMSTAR-ZINC03567070

 MMsINC code: MMs01085615
Type: Neutral
Formula: C21H19NO6
SMILES:   O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(OCC(=O)c1ccccc1)=O
InChI:   InChI=1/C21H19NO6/c1-27-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)21(26)28-13-18(23)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3

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Potential Energy
Epot(MMFF94)=71.3653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.384 g/mol  logS: -4.76012  SlogP: 2.3588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157236  Sterimol/B1: 2.48844  Sterimol/B2: 3.41481  Sterimol/B3: 4.54791
  Sterimol/B4: 5.18888  Sterimol/L: 23.5968 
 
 Surface and Volume Properties
  Accessible surface: 668.751  Positive charged surface: 416.98  Negative charged surface: 251.771  Volume: 351.5
  Hydrophobic surface: 505.476  Hydrophilic surface: 163.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.