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NCID-ZINC05249469

 MMsINC code: MMs02450634
Type: Neutral
Formula: C19H33N3O5
SMILES:   O(C(=O)CCCCNC(=O)C1CCN(C1)C(=O)CNC(=O)CCCCC)C
InChI:   InChI=1/C19H33N3O5/c1-3-4-5-8-16(23)21-13-17(24)22-12-10-15(14-22)19(26)20-11-7-6-9-18(25)27-2/h15H,3-14H2,1-2H3,(H,20,26)(H,21,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=29.5642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.489 g/mol  logS: -2.55777  SlogP: 0.9909  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00840194  Sterimol/B1: 2.85914  Sterimol/B2: 3.12702  Sterimol/B3: 3.16102
  Sterimol/B4: 3.87133  Sterimol/L: 29.0561 
 
 Surface and Volume Properties
  Accessible surface: 765.338  Positive charged surface: 606.924  Negative charged surface: 158.414  Volume: 385.5
  Hydrophobic surface: 572.289  Hydrophilic surface: 193.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.