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ENAMINE-ZINC03284917

 MMsINC code: MMs01350009
Type: Neutral
Formula: C15H24N4O5
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1N(C(=O)CCC(O)=O)CCCC
InChI:   InChI=1/C15H24N4O5/c1-3-5-9-18(10(20)6-7-11(21)22)12-13(16)19(8-4-2)15(24)17-14(12)23/h3-9,16H2,1-2H3,(H,21,22)(H,17,23,24)

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Potential Energy
Epot(MMFF94)=25.9827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.38 g/mol  logS: -1.81817  SlogP: 0.5695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136712  Sterimol/B1: 2.23173  Sterimol/B2: 3.56205  Sterimol/B3: 5.04267
  Sterimol/B4: 9.94472  Sterimol/L: 15.7983 
 
 Surface and Volume Properties
  Accessible surface: 597.843  Positive charged surface: 405.401  Negative charged surface: 192.442  Volume: 317.375
  Hydrophobic surface: 299.287  Hydrophilic surface: 298.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs01350010
ENAMINE-ZINC03284917