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ENAMINE-ZINC06580389

 MMsINC code: MMs01676677
Type: Neutral
Formula: C19H21ClN2O2S
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C19H21ClN2O2S/c20-15-10-9-13(18(23)21-14-6-3-1-2-4-7-14)12-16(15)22-19(24)17-8-5-11-25-17/h5,8-12,14H,1-4,6-7H2,(H,21,23)(H,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.3298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.908 g/mol  logS: -6.02832  SlogP: 5.1064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305949  Sterimol/B1: 2.47356  Sterimol/B2: 3.39674  Sterimol/B3: 3.57732
  Sterimol/B4: 8.47598  Sterimol/L: 18.9981 
 
 Surface and Volume Properties
  Accessible surface: 629.052  Positive charged surface: 332.052  Negative charged surface: 297  Volume: 344.75
  Hydrophobic surface: 562.777  Hydrophilic surface: 66.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.