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PUBCHEM-ZINC02838783

 MMsINC code: MMs02934739
Type: Neutral
Formula: C25H25ClN2O3
SMILES:   Clc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2c(cccc2C)CC)c1C
InChI:   InChI=1/C25H25ClN2O3/c1-4-18-10-7-9-16(2)24(18)28-23(29)15-31-22-14-6-5-11-19(22)25(30)27-21-13-8-12-20(26)17(21)3/h5-14H,4,15H2,1-3H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.939 g/mol  logS: -7.1326  SlogP: 5.78901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074664  Sterimol/B1: 2.07353  Sterimol/B2: 6.33288  Sterimol/B3: 6.98327
  Sterimol/B4: 7.04206  Sterimol/L: 18.3166 
 
 Surface and Volume Properties
  Accessible surface: 726.265  Positive charged surface: 406.018  Negative charged surface: 320.246  Volume: 417.5
  Hydrophobic surface: 657.855  Hydrophilic surface: 68.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.