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PUBCHEM-ZINC00855593

 MMsINC code: MMs02739616
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1ccc(cc1)C(NC(=O)Cc1ccccc1)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C24H19ClN2O2/c25-19-11-8-18(9-12-19)22(27-21(28)15-16-5-2-1-3-6-16)20-13-10-17-7-4-14-26-23(17)24(20)29/h1-14,22,29H,15H2,(H,27,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -6.08916  SlogP: 5.13757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111995  Sterimol/B1: 3.17583  Sterimol/B2: 3.38972  Sterimol/B3: 4.90425
  Sterimol/B4: 9.38577  Sterimol/L: 18.1068 
 
 Surface and Volume Properties
  Accessible surface: 663.774  Positive charged surface: 357.914  Negative charged surface: 301.139  Volume: 379.875
  Hydrophobic surface: 591.618  Hydrophilic surface: 72.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.