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ENAMINE-ZINC03401729

 MMsINC code: MMs01420399
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(C(=O)c1cc(cc(c1)C)C)CC(=O)NC(=O)NCCC
InChI:   InChI=1/C15H20N2O4/c1-4-5-16-15(20)17-13(18)9-21-14(19)12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=33.3442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.64453  SlogP: 1.69604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00782533  Sterimol/B1: 2.37603  Sterimol/B2: 2.51181  Sterimol/B3: 4.33831
  Sterimol/B4: 4.84463  Sterimol/L: 20.4102 
 
 Surface and Volume Properties
  Accessible surface: 591.266  Positive charged surface: 393.37  Negative charged surface: 197.896  Volume: 284.125
  Hydrophobic surface: 423.021  Hydrophilic surface: 168.245
 
 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.