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PUBCHEM-ZINC06906807

 MMsINC code: MMs03897216
Type: Neutral
Formula: C19H26ClN3O3
SMILES:   Clc1cc(ccc1)C(NC(=O)CN1C(=O)C(NC1=O)(CCC(C)C)C)C
InChI:   InChI=1/C19H26ClN3O3/c1-12(2)8-9-19(4)17(25)23(18(26)22-19)11-16(24)21-13(3)14-6-5-7-15(20)10-14/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,21,24)(H,22,26)/t13-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.888 g/mol  logS: -5.43831  SlogP: 3.3594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538534  Sterimol/B1: 3.4633  Sterimol/B2: 3.81078  Sterimol/B3: 4.36537
  Sterimol/B4: 5.87676  Sterimol/L: 20.0099 
 
 Surface and Volume Properties
  Accessible surface: 667.898  Positive charged surface: 383.749  Negative charged surface: 284.148  Volume: 363.25
  Hydrophobic surface: 468.494  Hydrophilic surface: 199.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.