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ENAMINE-ZINC02642243

 MMsINC code: MMs01269611
Type: Neutral
Formula: C20H23N3O4
SMILES:   O(C(=O)c1ccc(NC(=O)N)cc1)CC(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C20H23N3O4/c1-14(7-8-15-5-3-2-4-6-15)22-18(24)13-27-19(25)16-9-11-17(12-10-16)23-20(21)26/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,24)(H3,21,23,26)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.421 g/mol  logS: -4.44683  SlogP: 2.47147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038148  Sterimol/B1: 2.1638  Sterimol/B2: 2.77251  Sterimol/B3: 4.75257
  Sterimol/B4: 7.54206  Sterimol/L: 22.7112 
 
 Surface and Volume Properties
  Accessible surface: 686.029  Positive charged surface: 425.735  Negative charged surface: 260.294  Volume: 358.125
  Hydrophobic surface: 463.722  Hydrophilic surface: 222.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.