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ENAMINE-ZINC03418921

 MMsINC code: MMs01430712
Type: Neutral
Formula: C16H22N2O5
SMILES:   O(C(=O)c1ccc(cc1)CO)CC(=O)NC(=O)NCCC(C)C
InChI:   InChI=1/C16H22N2O5/c1-11(2)7-8-17-16(22)18-14(20)10-23-15(21)13-5-3-12(9-19)4-6-13/h3-6,11,19H,7-10H2,1-2H3,(H2,17,18,20,22)

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Potential Energy
Epot(MMFF94)=41.7103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.361 g/mol  logS: -3.49815  SlogP: 1.474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116639  Sterimol/B1: 2.58484  Sterimol/B2: 3.72434  Sterimol/B3: 4.06612
  Sterimol/B4: 4.16403  Sterimol/L: 22.0677 
 
 Surface and Volume Properties
  Accessible surface: 621.315  Positive charged surface: 421.66  Negative charged surface: 199.655  Volume: 310.25
  Hydrophobic surface: 374.477  Hydrophilic surface: 246.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.