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CHEMSTAR-ZINC00393491

 MMsINC code: MMs01074956
Type: Neutral
Formula: C20H33NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C20H33NO3/c22-19(17-13-7-8-14-18(17)20(23)24)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-18H,1-14H2,(H,23,24)/t17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=251.102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.488 g/mol  logS: -3.69102  SlogP: 4.3714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158927  Sterimol/B1: 3.41583  Sterimol/B2: 4.00563  Sterimol/B3: 6.02851
  Sterimol/B4: 6.12474  Sterimol/L: 13.8727 
 
 Surface and Volume Properties
  Accessible surface: 543.345  Positive charged surface: 423.871  Negative charged surface: 119.474  Volume: 339
  Hydrophobic surface: 461.974  Hydrophilic surface: 81.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01074957
CHEMSTAR-ZINC00393491