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ASINEX-ZINC04981806

 MMsINC code: MMs00421395
Type: Neutral
Formula: C22H37N3O4
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C1(NC(=O)NC2CCCCC2)CCCCC1)CC
InChI:   InChI=1/C22H37N3O4/c1-2-29-19(26)17-11-15-25(16-12-17)20(27)22(13-7-4-8-14-22)24-21(28)23-18-9-5-3-6-10-18/h17-18H,2-16H2,1H3,(H2,23,24,28)

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Potential Energy
Epot(MMFF94)=50.7244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.555 g/mol  logS: -3.65743  SlogP: 3.1229  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.14171  Sterimol/B1: 2.31833  Sterimol/B2: 3.84093  Sterimol/B3: 6.74974
  Sterimol/B4: 9.62201  Sterimol/L: 17.4327 
 
 Surface and Volume Properties
  Accessible surface: 702.736  Positive charged surface: 541.052  Negative charged surface: 161.684  Volume: 407.75
  Hydrophobic surface: 598.1  Hydrophilic surface: 104.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.