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PUBCHEM-ZINC06274855

 MMsINC code: MMs03653353
Type: Neutral
Formula: C20H24ClN3O4
SMILES:   Clc1ccc(NC(=O)N2CCN(CC2)c2cc(OC)c(OC)c(OC)c2)cc1
InChI:   InChI=1/C20H24ClN3O4/c1-26-17-12-16(13-18(27-2)19(17)28-3)23-8-10-24(11-9-23)20(25)22-15-6-4-14(21)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)

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Potential Energy
Epot(MMFF94)=172.51 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.882 g/mol  logS: -4.07822  SlogP: 3.7199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769931  Sterimol/B1: 2.2794  Sterimol/B2: 4.13412  Sterimol/B3: 4.55102
  Sterimol/B4: 9.52895  Sterimol/L: 19.8986 
 
 Surface and Volume Properties
  Accessible surface: 676.551  Positive charged surface: 491.764  Negative charged surface: 184.788  Volume: 371.75
  Hydrophobic surface: 610.838  Hydrophilic surface: 65.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.