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PUBCHEM-ZINC04760748

 MMsINC code: MMs03167157
Type: Neutral
Formula: C20H23N3O4
SMILES:   O(Cc1ccccc1)C(=O)N(CC(=O)NC(Cc1ccccc1)C(=O)N)C
InChI:   InChI=1/C20H23N3O4/c1-23(20(26)27-14-16-10-6-3-7-11-16)13-18(24)22-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H2,21,25)(H,22,24)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.421 g/mol  logS: -3.78234  SlogP: 1.73417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719075  Sterimol/B1: 3.29058  Sterimol/B2: 3.95583  Sterimol/B3: 4.1846
  Sterimol/B4: 8.11489  Sterimol/L: 18.1357 
 
 Surface and Volume Properties
  Accessible surface: 675.612  Positive charged surface: 428.952  Negative charged surface: 246.659  Volume: 359.25
  Hydrophobic surface: 517.805  Hydrophilic surface: 157.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.