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ENAMINE-ZINC03378211

 MMsINC code: MMs01405238
Type: Neutral
Formula: C20H21N3O4
SMILES:   O(C)c1ccc(cc1)CNC(=O)CN1C(=O)C(NC1=O)Cc1ccccc1
InChI:   InChI=1/C20H21N3O4/c1-27-16-9-7-15(8-10-16)12-21-18(24)13-23-19(25)17(22-20(23)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.405 g/mol  logS: -3.85471  SlogP: 1.74087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230908  Sterimol/B1: 2.95665  Sterimol/B2: 3.30554  Sterimol/B3: 3.86897
  Sterimol/B4: 4.84172  Sterimol/L: 22.5436 
 
 Surface and Volume Properties
  Accessible surface: 661.384  Positive charged surface: 417.801  Negative charged surface: 243.583  Volume: 347.75
  Hydrophobic surface: 504.263  Hydrophilic surface: 157.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.