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CHEMDIV-ZINC03615100

 MMsINC code: MMs00911337
Type: Neutral
Formula: C20H23N3O4
SMILES:   O(C)c1ccc(NC(=O)C(NC(=O)CNC(=O)C)c2ccc(cc2)C)cc1
InChI:   InChI=1/C20H23N3O4/c1-13-4-6-15(7-5-13)19(23-18(25)12-21-14(2)24)20(26)22-16-8-10-17(27-3)11-9-16/h4-11,19H,12H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.421 g/mol  logS: -4.23167  SlogP: 2.03122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518302  Sterimol/B1: 1.98975  Sterimol/B2: 3.20792  Sterimol/B3: 4.3759
  Sterimol/B4: 11.0226  Sterimol/L: 19.2712 
 
 Surface and Volume Properties
  Accessible surface: 683.095  Positive charged surface: 443.198  Negative charged surface: 239.898  Volume: 357.25
  Hydrophobic surface: 544.849  Hydrophilic surface: 138.246
 
 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.