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ENAMINE-ZINC03387233

 MMsINC code: MMs01411412
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC(=O)NCC
InChI:   InChI=1/C15H20N2O4/c1-4-16-15(20)17-13(18)9-21-14(19)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=37.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.99928  SlogP: 1.8125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195157  Sterimol/B1: 2.94983  Sterimol/B2: 3.6235  Sterimol/B3: 3.62458
  Sterimol/B4: 5.17812  Sterimol/L: 19.6944 
 
 Surface and Volume Properties
  Accessible surface: 578.134  Positive charged surface: 389.782  Negative charged surface: 188.353  Volume: 286
  Hydrophobic surface: 370.493  Hydrophilic surface: 207.641
 
 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.