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PUBCHEM-ZINC03035533

 MMsINC code: MMs02983758
Type: Neutral
Formula: C24H27ClN2O3
SMILES:   Clc1ccccc1CN1C(c2ccc(OC)cc2)C(=O)N(CC1=O)C1CCCCC1
InChI:   InChI=1/C24H27ClN2O3/c1-30-20-13-11-17(12-14-20)23-24(29)26(19-8-3-2-4-9-19)16-22(28)27(23)15-18-7-5-6-10-21(18)25/h5-7,10-14,19,23H,2-4,8-9,15-16H2,1H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.944 g/mol  logS: -5.66415  SlogP: 4.9553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202356  Sterimol/B1: 2.55267  Sterimol/B2: 3.93278  Sterimol/B3: 4.95852
  Sterimol/B4: 13.4847  Sterimol/L: 13.8013 
 
 Surface and Volume Properties
  Accessible surface: 669.696  Positive charged surface: 444.343  Negative charged surface: 225.353  Volume: 404
  Hydrophobic surface: 612.067  Hydrophilic surface: 57.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.