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PUBCHEM-ZINC03035535

 MMsINC code: MMs02983759
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.241 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: 0.208409  Sterimol/B1: 2.49454  Sterimol/B2: 4.45852  Sterimol/B3: 4.55937
  Sterimol/B4: 13.5531  Sterimol/L: 13.2403 
 
 Surface and Volume Properties
  Accessible surface: 671.577  Positive charged surface: 440.521  Negative charged surface: 231.056  Volume: 406.25
  Hydrophobic surface: 619.263  Hydrophilic surface: 52.314
 
 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.