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CHEMDIV-ZINC03035194

 MMsINC code: MMs00906089
Type: Neutral
Formula: C24H27ClN2O3
SMILES:   Clc1ccc(cc1)C1N(Cc2ccccc2OC)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C24H27ClN2O3/c1-30-21-10-6-5-7-18(21)15-27-22(28)16-26(20-8-3-2-4-9-20)24(29)23(27)17-11-13-19(25)14-12-17/h5-7,10-14,20,23H,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)=147.525 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: 0.129746  Sterimol/B1: 2.44062  Sterimol/B2: 3.29108  Sterimol/B3: 5.36439
  Sterimol/B4: 9.96669  Sterimol/L: 16.1159 
 
 Surface and Volume Properties
  Accessible surface: 639.065  Positive charged surface: 443.034  Negative charged surface: 196.031  Volume: 404.375
  Hydrophobic surface: 589.794  Hydrophilic surface: 49.271
 
 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.