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ASINEX-ZINC04231151

 MMsINC code: MMs00320650
Type: Neutral
Formula: C19H22N2O4
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)CN(C(=O)C)C1CCCCC1
InChI:   InChI=1/C19H22N2O4/c1-12(22)21(15-5-3-2-4-6-15)10-14-7-13-8-17-18(25-11-24-17)9-16(13)20-19(14)23/h7-9,15H,2-6,10-11H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=66.2988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -3.72496  SlogP: 2.932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866757  Sterimol/B1: 2.01982  Sterimol/B2: 3.13707  Sterimol/B3: 4.11623
  Sterimol/B4: 8.57298  Sterimol/L: 15.427 
 
 Surface and Volume Properties
  Accessible surface: 559.619  Positive charged surface: 395.942  Negative charged surface: 163.677  Volume: 321.25
  Hydrophobic surface: 425.427  Hydrophilic surface: 134.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.