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PUBCHEM-ZINC00241291

 MMsINC code: MMs02644759
Type: Neutral
Formula: C16H19ClN2O3
SMILES:   Clc1cc2OC(=O)N(c2cc1)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C16H19ClN2O3/c17-11-6-7-13-14(10-11)22-16(21)19(13)9-8-15(20)18-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.3756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.792 g/mol  logS: -4.31629  SlogP: 3.4978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441425  Sterimol/B1: 2.56301  Sterimol/B2: 3.27285  Sterimol/B3: 3.48409
  Sterimol/B4: 7.15822  Sterimol/L: 17.8087 
 
 Surface and Volume Properties
  Accessible surface: 563.484  Positive charged surface: 341.946  Negative charged surface: 221.538  Volume: 296
  Hydrophobic surface: 458.826  Hydrophilic surface: 104.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.