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ENAMINE-ZINC04477150

 MMsINC code: MMs01540370
Type: Neutral
Formula: C20H20ClN3O3
SMILES:   Clc1cc(ccc1)CNC(=O)CN1C(=O)C(NC1=O)(CC)c1ccccc1
InChI:   InChI=1/C20H20ClN3O3/c1-2-20(15-8-4-3-5-9-15)18(26)24(19(27)23-20)13-17(25)22-12-14-7-6-10-16(21)11-14/h3-11H,2,12-13H2,1H3,(H,22,25)(H,23,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.851 g/mol  logS: -5.00613  SlogP: 3.3914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765095  Sterimol/B1: 2.52358  Sterimol/B2: 4.34994  Sterimol/B3: 4.36003
  Sterimol/B4: 7.31354  Sterimol/L: 18.9388 
 
 Surface and Volume Properties
  Accessible surface: 646.42  Positive charged surface: 341.946  Negative charged surface: 304.474  Volume: 355.375
  Hydrophobic surface: 504  Hydrophilic surface: 142.42
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.