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PUBCHEM-ZINC05138994

 MMsINC code: MMs03211007
Type: Neutral
Formula: C20H22N2O5
SMILES:   OC(=O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)Cc1ccccc1
InChI:   InChI=1/C20H22N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,24)(H,22,23)(H,25,26)/t16-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.5949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.405 g/mol  logS: -3.13804  SlogP: 1.55284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808564  Sterimol/B1: 3.10566  Sterimol/B2: 3.90398  Sterimol/B3: 5.60557
  Sterimol/B4: 6.62633  Sterimol/L: 15.0988 
 
 Surface and Volume Properties
  Accessible surface: 589.121  Positive charged surface: 341.916  Negative charged surface: 247.206  Volume: 347.875
  Hydrophobic surface: 405.188  Hydrophilic surface: 183.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03211008
PUBCHEM-ZINC05138994