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PUBCHEM-ZINC06020050

 MMsINC code: MMs03495189
Type: Neutral
Formula: C15H28N4O5
SMILES:   OC(=O)C1N(CCC1)C(=O)C(NC(=O)C(O)C(N)CCCCN)C
InChI:   InChI=1/C15H28N4O5/c1-9(14(22)19-8-4-6-11(19)15(23)24)18-13(21)12(20)10(17)5-2-3-7-16/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9-,10+,11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=78.1037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.412 g/mol  logS: -0.49061  SlogP: -1.6161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416234  Sterimol/B1: 1.969  Sterimol/B2: 3.7233  Sterimol/B3: 5.09934
  Sterimol/B4: 6.54796  Sterimol/L: 19.2833 
 
 Surface and Volume Properties
  Accessible surface: 619.815  Positive charged surface: 454.002  Negative charged surface: 165.813  Volume: 329.625
  Hydrophobic surface: 327.73  Hydrophilic surface: 292.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.