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NCID-ZINC05351740

 MMsINC code: MMs02454081
Type: Neutral
Formula: C23H39N5O6
SMILES:   O1C(C)C(N)C(=O)NC(C(C)C)C(=O)N2C(CCC2)C(=O)N(CC(=O)N(C)C(C(C
)C)C1=O)C
InChI:   InChI=1/C23H39N5O6/c1-12(2)18-22(32)28-10-8-9-15(28)21(31)26(6)11-16(29)27(7)19(13(3)4)23(33)34-14(5)17(24)20(30)25-18/h12-15,17-19H,8-11,24H2,1-7H3,(H,25,30)/t14-,15+,17+,18+,19+/m0/s1

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Potential Energy
Epot(MMFF94)=253.838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.594 g/mol  logS: -2.55231  SlogP: -0.6678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137358  Sterimol/B1: 2.47228  Sterimol/B2: 3.95352  Sterimol/B3: 4.73042
  Sterimol/B4: 9.5785  Sterimol/L: 15.8237 
 
 Surface and Volume Properties
  Accessible surface: 676.981  Positive charged surface: 520.414  Negative charged surface: 156.567  Volume: 459.5
  Hydrophobic surface: 475.153  Hydrophilic surface: 201.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.