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ENAMINE-ZINC03522637

 MMsINC code: MMs01489832
Type: Neutral
Formula: C23H26N2O4
SMILES:   O(C(=O)c1ccccc1C(=O)N(C)c1ccccc1)CC(=O)NC1CCCCC1
InChI:   InChI=1/C23H26N2O4/c1-25(18-12-6-3-7-13-18)22(27)19-14-8-9-15-20(19)23(28)29-16-21(26)24-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -5.27432  SlogP: 3.5689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399069  Sterimol/B1: 2.32609  Sterimol/B2: 5.06111  Sterimol/B3: 5.99273
  Sterimol/B4: 6.9864  Sterimol/L: 19.4936 
 
 Surface and Volume Properties
  Accessible surface: 690.116  Positive charged surface: 470.155  Negative charged surface: 219.961  Volume: 383.875
  Hydrophobic surface: 608.48  Hydrophilic surface: 81.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.