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PUBCHEM-ZINC05860163

 MMsINC code: MMs03421690
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0398 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: 0.0403525  Sterimol/B1: 2.08775  Sterimol/B2: 3.30993  Sterimol/B3: 4.10612
  Sterimol/B4: 9.75333  Sterimol/L: 19.6506 
 
 Surface and Volume Properties
  Accessible surface: 732.638  Positive charged surface: 549.002  Negative charged surface: 183.635  Volume: 414.625
  Hydrophobic surface: 626.673  Hydrophilic surface: 105.965
 
 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.