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ENAMINE-ZINC03892235

 MMsINC code: MMs01530045
Type: Neutral
Formula: C20H21NO4
SMILES:   O=C1N(COC(=O)C23CC4CC(C2)CC(C3)C4)C(=O)c2c1cccc2
InChI:   InChI=1/C20H21NO4/c22-17-15-3-1-2-4-16(15)18(23)21(17)11-25-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2/t12-,13+,14-,20-

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Potential Energy
Epot(MMFF94)=62.8558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.391 g/mol  logS: -5.44627  SlogP: 2.9997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113943  Sterimol/B1: 3.08973  Sterimol/B2: 3.20888  Sterimol/B3: 4.63245
  Sterimol/B4: 5.91781  Sterimol/L: 15.5758 
 
 Surface and Volume Properties
  Accessible surface: 553.639  Positive charged surface: 377.901  Negative charged surface: 175.738  Volume: 313.75
  Hydrophobic surface: 462.388  Hydrophilic surface: 91.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.