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ENAMINE-ZINC06847754

 MMsINC code: MMs01704598
Type: Neutral
Formula: C20H23ClN2O2
SMILES:   Clc1ccccc1C(=O)NC(CC(=O)NC(CC)C)c1ccccc1
InChI:   InChI=1/C20H23ClN2O2/c1-3-14(2)22-19(24)13-18(15-9-5-4-6-10-15)23-20(25)16-11-7-8-12-17(16)21/h4-12,14,18H,3,13H2,1-2H3,(H,22,24)(H,23,25)/t14-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.4671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.869 g/mol  logS: -4.94388  SlogP: 4.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169005  Sterimol/B1: 2.37845  Sterimol/B2: 6.02595  Sterimol/B3: 6.52777
  Sterimol/B4: 7.69031  Sterimol/L: 13.3648 
 
 Surface and Volume Properties
  Accessible surface: 645.359  Positive charged surface: 370.134  Negative charged surface: 275.225  Volume: 352.25
  Hydrophobic surface: 560.628  Hydrophilic surface: 84.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.