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PUBCHEM-ZINC05860139

 MMsINC code: MMs03421681
Type: Neutral
Formula: C24H38N2O2
SMILES:   O1C(CN(CC1C)C(=O)Nc1ccc(cc1)C1CCC(CC1)CCCCC)C
InChI:   InChI=1/C24H38N2O2/c1-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)25-24(27)26-16-18(2)28-19(3)17-26/h12-15,18-21H,4-11,16-17H2,1-3H3,(H,25,27)/t18-,19+,20-,21+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.58 g/mol  logS: -7.79218  SlogP: 6.1818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410396  Sterimol/B1: 1.969  Sterimol/B2: 2.74203  Sterimol/B3: 4.9363
  Sterimol/B4: 9.64529  Sterimol/L: 19.7201 
 
 Surface and Volume Properties
  Accessible surface: 738.651  Positive charged surface: 553.934  Negative charged surface: 184.717  Volume: 412
  Hydrophobic surface: 628.315  Hydrophilic surface: 110.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.