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ENAMINE-ZINC02629780

 MMsINC code: MMs01261440
Type: Neutral
Formula: C24H23NO5
SMILES:   O(C)c1ccc(cc1NC(=O)C(OC(=O)c1ccc(cc1)CO)c1ccccc1)C
InChI:   InChI=1/C24H23NO5/c1-16-8-13-21(29-2)20(14-16)25-23(27)22(18-6-4-3-5-7-18)30-24(28)19-11-9-17(15-26)10-12-19/h3-14,22,26H,15H2,1-2H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.45 g/mol  logS: -5.82626  SlogP: 4.39462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120628  Sterimol/B1: 2.38179  Sterimol/B2: 3.27111  Sterimol/B3: 6.64351
  Sterimol/B4: 10.1415  Sterimol/L: 18.7391 
 
 Surface and Volume Properties
  Accessible surface: 717.607  Positive charged surface: 457.076  Negative charged surface: 260.531  Volume: 393.375
  Hydrophobic surface: 592.854  Hydrophilic surface: 124.753
 
 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.