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ASINEX-ZINC02055820

 MMsINC code: MMs00261450
Type: Neutral
Formula: C19H23NO6
SMILES:   O=C1N(CC(OCCCC)=O)C(=O)c2c1cc(cc2)C(OCCCC)=O
InChI:   InChI=1/C19H23NO6/c1-3-5-9-25-16(21)12-20-17(22)14-8-7-13(11-15(14)18(20)23)19(24)26-10-6-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=41.3149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.394 g/mol  logS: -4.81303  SlogP: 2.5828  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0283922  Sterimol/B1: 2.58312  Sterimol/B2: 3.37815  Sterimol/B3: 4.56286
  Sterimol/B4: 5.51055  Sterimol/L: 24.1424 
 
 Surface and Volume Properties
  Accessible surface: 685.736  Positive charged surface: 462.335  Negative charged surface: 223.401  Volume: 347.5
  Hydrophobic surface: 481.231  Hydrophilic surface: 204.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.