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PUBCHEM-ZINC00858103

 MMsINC code: MMs02739711
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(C)c1ccc(NC(=O)C(NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1
InChI:   InChI=1/C26H28N2O3/c1-18(2)24(26(30)27-21-14-16-22(31-3)17-15-21)28-25(29)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-18,23-24H,1-3H3,(H,27,30)(H,28,29)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -6.0125  SlogP: 4.6066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732995  Sterimol/B1: 2.48009  Sterimol/B2: 3.79348  Sterimol/B3: 4.64665
  Sterimol/B4: 10.4064  Sterimol/L: 19.6658 
 
 Surface and Volume Properties
  Accessible surface: 719.121  Positive charged surface: 456.434  Negative charged surface: 262.686  Volume: 420.125
  Hydrophobic surface: 636.045  Hydrophilic surface: 83.076
 
 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.