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IFLAB-ZINC01787449

 MMsINC code: MMs01986112
Type: Neutral
Formula: C20H19NO4
SMILES:   O=C1N(CCCC(OCc2ccc(cc2)C)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C20H19NO4/c1-14-8-10-15(11-9-14)13-25-18(22)7-4-12-21-19(23)16-5-2-3-6-17(16)20(21)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3

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Potential Energy
Epot(MMFF94)=45.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.375 g/mol  logS: -4.66841  SlogP: 3.38102  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0275264  Sterimol/B1: 2.97975  Sterimol/B2: 3.87185  Sterimol/B3: 3.99763
  Sterimol/B4: 3.9978  Sterimol/L: 21.2517 
 
 Surface and Volume Properties
  Accessible surface: 630.979  Positive charged surface: 368.563  Negative charged surface: 262.415  Volume: 326
  Hydrophobic surface: 510.624  Hydrophilic surface: 120.355
 
 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.