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ENAMINE-ZINC03463676

 MMsINC code: MMs01458446
Type: Neutral
Formula: C15H17NO5
SMILES:   O1CCOC=C1C(OCC(=O)NC(C)c1ccccc1)=O
InChI:   InChI=1/C15H17NO5/c1-11(12-5-3-2-4-6-12)16-14(17)10-21-15(18)13-9-19-7-8-20-13/h2-6,9,11H,7-8,10H2,1H3,(H,16,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=67.3997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.303 g/mol  logS: -2.79507  SlogP: 1.3907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440879  Sterimol/B1: 2.21077  Sterimol/B2: 2.24147  Sterimol/B3: 5.23368
  Sterimol/B4: 5.57416  Sterimol/L: 18.0663 
 
 Surface and Volume Properties
  Accessible surface: 562.18  Positive charged surface: 353.468  Negative charged surface: 208.712  Volume: 272.375
  Hydrophobic surface: 436.085  Hydrophilic surface: 126.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.