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ENAMINE-ZINC05421345

 MMsINC code: MMs01611063
Type: Neutral
Formula: C23H23ClN2O3
SMILES:   Clc1ccccc1C(=O)NC(CC(=O)N(Cc1oc(cc1)C)C)c1ccccc1
InChI:   InChI=1/C23H23ClN2O3/c1-16-12-13-18(29-16)15-26(2)22(27)14-21(17-8-4-3-5-9-17)25-23(28)19-10-6-7-11-20(19)24/h3-13,21H,14-15H2,1-2H3,(H,25,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.3285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.901 g/mol  logS: -5.81456  SlogP: 5.12312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140176  Sterimol/B1: 3.05499  Sterimol/B2: 5.92554  Sterimol/B3: 5.9326
  Sterimol/B4: 7.72497  Sterimol/L: 16.4847 
 
 Surface and Volume Properties
  Accessible surface: 699.768  Positive charged surface: 404.063  Negative charged surface: 295.704  Volume: 394.25
  Hydrophobic surface: 650.045  Hydrophilic surface: 49.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.