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PUBCHEM-ZINC06603766

 MMsINC code: MMs03817231
Type: Neutral
Formula: C20H36N2O3
SMILES:   O(C(=O)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(CC)C)C
InChI:   InChI=1/C20H36N2O3/c1-4-15(2)18(19(23)25-3)21-20(24)22(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h15-18H,4-14H2,1-3H3,(H,21,24)/t15-,18+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.519 g/mol  logS: -4.09476  SlogP: 4.2511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238072  Sterimol/B1: 2.26682  Sterimol/B2: 3.29418  Sterimol/B3: 7.30754
  Sterimol/B4: 8.13518  Sterimol/L: 15.0194 
 
 Surface and Volume Properties
  Accessible surface: 613.353  Positive charged surface: 483.67  Negative charged surface: 129.683  Volume: 370
  Hydrophobic surface: 543.223  Hydrophilic surface: 70.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.