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PUBCHEM-ZINC04762650

 MMsINC code: MMs03167785
Type: Neutral
Formula: C20H23N3O4
SMILES:   O(Cc1ccccc1)C(=O)NCCC(=O)NC(Cc1ccccc1)C(=O)N
InChI:   InChI=1/C20H23N3O4/c21-19(25)17(13-15-7-3-1-4-8-15)23-18(24)11-12-22-20(26)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,21,25)(H,22,26)(H,23,24)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.421 g/mol  logS: -3.77025  SlogP: 1.78207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379362  Sterimol/B1: 2.52968  Sterimol/B2: 3.41049  Sterimol/B3: 3.78663
  Sterimol/B4: 9.25535  Sterimol/L: 19.1907 
 
 Surface and Volume Properties
  Accessible surface: 691.518  Positive charged surface: 421.519  Negative charged surface: 270  Volume: 361.125
  Hydrophobic surface: 494.35  Hydrophilic surface: 197.168
 
 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.