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CHEMDIV-ZINC06745046

 MMsINC code: MMs01008815
Type: Neutral
Formula: C22H26N2O3
SMILES:   O(C)c1ccc(cc1NC(=O)C(=O)NCC1(CCCC1)c1ccccc1)C
InChI:   InChI=1/C22H26N2O3/c1-16-10-11-19(27-2)18(14-16)24-21(26)20(25)23-15-22(12-6-7-13-22)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.461 g/mol  logS: -5.44515  SlogP: 3.57032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583155  Sterimol/B1: 2.87127  Sterimol/B2: 3.15127  Sterimol/B3: 4.51696
  Sterimol/B4: 8.53694  Sterimol/L: 16.1697 
 
 Surface and Volume Properties
  Accessible surface: 653.166  Positive charged surface: 435.398  Negative charged surface: 217.768  Volume: 366
  Hydrophobic surface: 571.971  Hydrophilic surface: 81.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.