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CHEMDIV-ZINC02928803

 MMsINC code: MMs00893209
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(C(=O)c1cc(n(c1C)-c1cc(ccc1)C(=O)NC1CCCC1)-c1ccccc1)CC
InChI:   InChI=1/C26H28N2O3/c1-3-31-26(30)23-17-24(19-10-5-4-6-11-19)28(18(23)2)22-15-9-12-20(16-22)25(29)27-21-13-7-8-14-21/h4-6,9-12,15-17,21H,3,7-8,13-14H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -6.06553  SlogP: 5.30182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597267  Sterimol/B1: 2.94465  Sterimol/B2: 3.00902  Sterimol/B3: 5.87793
  Sterimol/B4: 9.34867  Sterimol/L: 20.4872 
 
 Surface and Volume Properties
  Accessible surface: 735.5  Positive charged surface: 474.655  Negative charged surface: 260.845  Volume: 421.375
  Hydrophobic surface: 638.595  Hydrophilic surface: 96.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.