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CHEMDIV-ZINC06948891

 MMsINC code: MMs01067974
Type: Neutral
Formula: C26H30N2O3
SMILES:   O(C(=O)c1cc(n(CCCC(=O)Nc2ccc(cc2C)C)c1C)-c1ccccc1)CC
InChI:   InChI=1/C26H30N2O3/c1-5-31-26(30)22-17-24(21-10-7-6-8-11-21)28(20(22)4)15-9-12-25(29)27-23-14-13-18(2)16-19(23)3/h6-8,10-11,13-14,16-17H,5,9,12,15H2,1-4H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.537 g/mol  logS: -5.85413  SlogP: 5.94236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928119  Sterimol/B1: 2.83679  Sterimol/B2: 3.37361  Sterimol/B3: 6.01471
  Sterimol/B4: 9.69925  Sterimol/L: 21.1234 
 
 Surface and Volume Properties
  Accessible surface: 770.064  Positive charged surface: 484.268  Negative charged surface: 285.795  Volume: 427
  Hydrophobic surface: 670.265  Hydrophilic surface: 99.799
 
 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.