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NCID-ZINC04776091

 MMsINC code: MMs02404618
Type: Neutral
Formula: C23H30N4O5
SMILES:   O(CCNC(=O)Nc1cccc(C)c1C)C(OCCNC(=O)Nc1cccc(C)c1C)=O
InChI:   InChI=1/C23H30N4O5/c1-15-7-5-9-19(17(15)3)26-21(28)24-11-13-31-23(30)32-14-12-25-22(29)27-20-10-6-8-16(2)18(20)4/h5-10H,11-14H2,1-4H3,(H2,24,26,28)(H2,25,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.516 g/mol  logS: -5.01961  SlogP: 4.01668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627921  Sterimol/B1: 2.62637  Sterimol/B2: 3.63296  Sterimol/B3: 5.82447
  Sterimol/B4: 8.93621  Sterimol/L: 21.9043 
 
 Surface and Volume Properties
  Accessible surface: 808.358  Positive charged surface: 547.258  Negative charged surface: 261.099  Volume: 430
  Hydrophobic surface: 648.335  Hydrophilic surface: 160.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.