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CHEMBRIDGE-ZINC02748138

 MMsINC code: MMs00715013
Type: Neutral
Formula: C21H38N2O2
SMILES:   O=C(NCCCNC(=O)CCC1CCCCC1)CCC1CCCCC1
InChI:   InChI=1/C21H38N2O2/c24-20(14-12-18-8-3-1-4-9-18)22-16-7-17-23-21(25)15-13-19-10-5-2-6-11-19/h18-19H,1-17H2,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=17.3702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.547 g/mol  logS: -6.53427  SlogP: 4.3299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161941  Sterimol/B1: 2.61049  Sterimol/B2: 3.05557  Sterimol/B3: 3.79293
  Sterimol/B4: 4.61997  Sterimol/L: 24.7677 
 
 Surface and Volume Properties
  Accessible surface: 721.208  Positive charged surface: 589.349  Negative charged surface: 131.859  Volume: 383.25
  Hydrophobic surface: 623.113  Hydrophilic surface: 98.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.