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PUBCHEM-ZINC06593971

 MMsINC code: MMs03812407
Type: Neutral
Formula: C19H35N3O4
SMILES:   O(C(=O)CCCCCNC(=O)N1CC(CCC1)C(=O)N(CC)CC)CC
InChI:   InChI=1/C19H35N3O4/c1-4-21(5-2)18(24)16-11-10-14-22(15-16)19(25)20-13-9-7-8-12-17(23)26-6-3/h16H,4-15H2,1-3H3,(H,20,25)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=11.3743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.506 g/mol  logS: -1.75081  SlogP: 2.3999  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0229308  Sterimol/B1: 2.36009  Sterimol/B2: 4.19762  Sterimol/B3: 4.699
  Sterimol/B4: 5.95108  Sterimol/L: 24.4946 
 
 Surface and Volume Properties
  Accessible surface: 721.995  Positive charged surface: 564.008  Negative charged surface: 157.987  Volume: 384.625
  Hydrophobic surface: 563.32  Hydrophilic surface: 158.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.