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CHEMBRIDGE-ZINC01004045

 MMsINC code: MMs00651621
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1c(cccc1C)C
InChI:   InChI=1/C23H28N2O3/c1-16-9-8-10-17(2)22(16)28-15-21(26)25-20-14-7-6-13-19(20)23(27)24-18-11-4-3-5-12-18/h6-10,13-14,18H,3-5,11-12,15H2,1-2H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.4686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.3699  SlogP: 4.38344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760754  Sterimol/B1: 2.29725  Sterimol/B2: 3.38304  Sterimol/B3: 6.77994
  Sterimol/B4: 8.76013  Sterimol/L: 17.8388 
 
 Surface and Volume Properties
  Accessible surface: 685.643  Positive charged surface: 454.42  Negative charged surface: 231.223  Volume: 386.125
  Hydrophobic surface: 624.699  Hydrophilic surface: 60.944
 
 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.