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CHEMBLOCK-ZINC03616685

 MMsINC code: MMs00537928
Type: Neutral
Formula: C26H30N2O2
SMILES:   OC(C(=O)NNC(CC)c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C
InChI:   InChI=1/C26H30N2O2/c1-5-24(21-12-6-9-18(2)15-21)27-28-25(29)26(30,22-13-7-10-19(3)16-22)23-14-8-11-20(4)17-23/h6-17,24,27,30H,5H2,1-4H3,(H,28,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.538 g/mol  logS: -6.5123  SlogP: 5.02686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256845  Sterimol/B1: 2.32834  Sterimol/B2: 3.13211  Sterimol/B3: 7.12
  Sterimol/B4: 9.72454  Sterimol/L: 13.5778 
 
 Surface and Volume Properties
  Accessible surface: 710.079  Positive charged surface: 431.764  Negative charged surface: 278.315  Volume: 419.75
  Hydrophobic surface: 643.881  Hydrophilic surface: 66.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.