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ENAMINE-ZINC03371707

 MMsINC code: MMs01402239
Type: Neutral
Formula: C11H17N3O4
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NCC)C1=O
InChI:   InChI=1/C11H17N3O4/c1-3-5-6-13-9(16)10(17)14(11(13)18)7-8(15)12-4-2/h3-7H2,1-2H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=-8.53514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.274 g/mol  logS: -1.85979  SlogP: -0.2866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491031  Sterimol/B1: 2.40477  Sterimol/B2: 2.67282  Sterimol/B3: 3.8844
  Sterimol/B4: 5.67477  Sterimol/L: 17.0946 
 
 Surface and Volume Properties
  Accessible surface: 501.825  Positive charged surface: 337.69  Negative charged surface: 164.136  Volume: 238.125
  Hydrophobic surface: 289.49  Hydrophilic surface: 212.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.