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PUBCHEM-ZINC06190747

 MMsINC code: MMs03590983
Type: Neutral
Formula: C26H34N2O5
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C(NC(OC(C)(C)C)=O)Cc1ccccc1)C(C)C
InChI:   InChI=1/C26H34N2O5/c1-18(2)22(24(30)32-17-20-14-10-7-11-15-20)28-23(29)21(16-19-12-8-6-9-13-19)27-25(31)33-26(3,4)5/h6-15,18,21-22H,16-17H2,1-5H3,(H,27,31)(H,28,29)/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.567 g/mol  logS: -5.73032  SlogP: 4.27297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462104  Sterimol/B1: 2.29512  Sterimol/B2: 3.08984  Sterimol/B3: 4.95763
  Sterimol/B4: 8.15917  Sterimol/L: 21.4759 
 
 Surface and Volume Properties
  Accessible surface: 761.422  Positive charged surface: 496.355  Negative charged surface: 265.067  Volume: 453.75
  Hydrophobic surface: 603.514  Hydrophilic surface: 157.908
 
 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.