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ENAMINE-ZINC03553401

 MMsINC code: MMs01504958
Type: Neutral
Formula: C19H18N2O4
SMILES:   o1c2c(cc1C(=O)NNC(=O)COc1cc(ccc1C)C)cccc2
InChI:   InChI=1/C19H18N2O4/c1-12-7-8-13(2)16(9-12)24-11-18(22)20-21-19(23)17-10-14-5-3-4-6-15(14)25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=93.0593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.363 g/mol  logS: -5.89286  SlogP: 2.88964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00358785  Sterimol/B1: 2.12524  Sterimol/B2: 2.51235  Sterimol/B3: 2.51652
  Sterimol/B4: 7.57656  Sterimol/L: 20.6775 
 
 Surface and Volume Properties
  Accessible surface: 635.698  Positive charged surface: 370.619  Negative charged surface: 259.544  Volume: 321.25
  Hydrophobic surface: 512.049  Hydrophilic surface: 123.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.