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NCID-ZINC05030917

 MMsINC code: MMs02430717
Type: Neutral
Formula: C27H28N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(OC)=O
InChI:   InChI=1/C27H28N2O5/c1-33-26(31)24(18-21-13-7-3-8-14-21)28-25(30)23(17-20-11-5-2-6-12-20)29-27(32)34-19-22-15-9-4-10-16-22/h2-16,23-24H,17-19H2,1H3,(H,28,30)(H,29,32)/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.53 g/mol  logS: -5.84731  SlogP: 3.69094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214192  Sterimol/B1: 2.1021  Sterimol/B2: 5.06539  Sterimol/B3: 6.61109
  Sterimol/B4: 10.0836  Sterimol/L: 17.6526 
 
 Surface and Volume Properties
  Accessible surface: 782.022  Positive charged surface: 480.764  Negative charged surface: 301.259  Volume: 452.375
  Hydrophobic surface: 685.546  Hydrophilic surface: 96.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.