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NCID-ZINC05189366

 MMsINC code: MMs02447227
Type: Neutral
Formula: C20H31N3O4
SMILES:   O=C1N(CCC(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C(=O)CC1
InChI:   InChI=1/C20H31N3O4/c24-17-11-12-18(25)22(17)14-13-19(26)23(16-9-5-2-6-10-16)20(27)21-15-7-3-1-4-8-15/h15-16H,1-14H2,(H,21,27)

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Potential Energy
Epot(MMFF94)=26.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.485 g/mol  logS: -3.07642  SlogP: 2.7291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07604  Sterimol/B1: 3.34596  Sterimol/B2: 3.5097  Sterimol/B3: 4.47003
  Sterimol/B4: 7.14504  Sterimol/L: 18.1477 
 
 Surface and Volume Properties
  Accessible surface: 643.989  Positive charged surface: 455.348  Negative charged surface: 188.641  Volume: 367.375
  Hydrophobic surface: 513.29  Hydrophilic surface: 130.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.