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PUBCHEM-ZINC05649778

 MMsINC code: MMs03335862
Type: Neutral
Formula: C22H39N3O2
SMILES:   O=C1N(CCCN(CC)CC)C(=O)NC1(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C22H39N3O2/c1-3-24(4-2)16-11-17-25-20(26)22(23-21(25)27,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h18-19H,3-17H2,1-2H3,(H,23,27)

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Potential Energy
Epot(MMFF94)=33.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.573 g/mol  logS: -5.13731  SlogP: 4.1695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101215  Sterimol/B1: 3.27507  Sterimol/B2: 4.35158  Sterimol/B3: 5.40645
  Sterimol/B4: 8.07862  Sterimol/L: 16.0961 
 
 Surface and Volume Properties
  Accessible surface: 673.16  Positive charged surface: 511.133  Negative charged surface: 162.027  Volume: 401.625
  Hydrophobic surface: 559.443  Hydrophilic surface: 113.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03335863
PUBCHEM-ZINC05649778