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NCID-ZINC01555673

 MMsINC code: MMs02219310
Type: Neutral
Formula: C20H28N2O4
SMILES:   O(CC#CC#CCOC(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C20H28N2O4/c23-19(21-17-11-5-3-6-12-17)25-15-9-1-2-10-16-26-20(24)22-18-13-7-4-8-14-18/h17-18H,3-8,11-16H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=-20.4824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.454 g/mol  logS: -4.88808  SlogP: 3.11102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128955  Sterimol/B1: 2.90526  Sterimol/B2: 3.53552  Sterimol/B3: 3.69056
  Sterimol/B4: 3.94694  Sterimol/L: 26.1071 
 
 Surface and Volume Properties
  Accessible surface: 727.409  Positive charged surface: 500.996  Negative charged surface: 174.255  Volume: 367.875
  Hydrophobic surface: 547.515  Hydrophilic surface: 179.894
 
 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.