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PUBCHEM-ZINC04672275

 MMsINC code: MMs03151515
Type: Neutral
Formula: C23H33ClN2O2
SMILES:   ClCC(=O)N(C(C(=O)NC1CCCCC1)c1ccc(cc1)C)C1CCCCC1
InChI:   InChI=1/C23H33ClN2O2/c1-17-12-14-18(15-13-17)22(23(28)25-19-8-4-2-5-9-19)26(21(27)16-24)20-10-6-3-7-11-20/h12-15,19-20,22H,2-11,16H2,1H3,(H,25,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.982 g/mol  logS: -5.77907  SlogP: 4.98062  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.25507  Sterimol/B1: 2.29706  Sterimol/B2: 3.08226  Sterimol/B3: 8.08832
  Sterimol/B4: 11.1361  Sterimol/L: 14.6836 
 
 Surface and Volume Properties
  Accessible surface: 679.576  Positive charged surface: 453.394  Negative charged surface: 226.182  Volume: 404.375
  Hydrophobic surface: 581.071  Hydrophilic surface: 98.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.