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ENAMINE-ZINC03445368

 MMsINC code: MMs01447003
Type: Neutral
Formula: C19H17ClN2O5
SMILES:   Clc1cc(OCCN2C(=O)C(NC2=O)(C)c2cc3OCOc3cc2)ccc1
InChI:   InChI=1/C19H17ClN2O5/c1-19(12-5-6-15-16(9-12)27-11-26-15)17(23)22(18(24)21-19)7-8-25-14-4-2-3-13(20)10-14/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.807 g/mol  logS: -4.66371  SlogP: 3.2262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680167  Sterimol/B1: 2.1321  Sterimol/B2: 3.61193  Sterimol/B3: 4.63385
  Sterimol/B4: 6.18483  Sterimol/L: 18.8264 
 
 Surface and Volume Properties
  Accessible surface: 616.571  Positive charged surface: 342.184  Negative charged surface: 274.387  Volume: 336.125
  Hydrophobic surface: 471.764  Hydrophilic surface: 144.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.