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ENAMINE-ZINC03490134

 MMsINC code: MMs01470819
Type: Neutral
Formula: C19H19N3O5
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)NC(=O)N
InChI:   InChI=1/C19H19N3O5/c20-19(26)22-16(23)12-27-17(24)11-15(13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,25)(H3,20,22,23,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.377 g/mol  logS: -4.09609  SlogP: 1.3814  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0742219  Sterimol/B1: 2.37848  Sterimol/B2: 3.32491  Sterimol/B3: 4.22556
  Sterimol/B4: 11.2416  Sterimol/L: 17.0154 
 
 Surface and Volume Properties
  Accessible surface: 658.274  Positive charged surface: 385.732  Negative charged surface: 272.542  Volume: 340.875
  Hydrophobic surface: 431.4  Hydrophilic surface: 226.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.