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NCID-ZINC05437885

 MMsINC code: MMs02462255
Type: Neutral
Formula: C25H33N3O5
SMILES:   O(Cc1ccccc1)C(=O)N(N(C(OCc1ccccc1)=O)C)CCCCC(=O)NC(C)C
InChI:   InChI=1/C25H33N3O5/c1-20(2)26-23(29)16-10-11-17-28(25(31)33-19-22-14-8-5-9-15-22)27(3)24(30)32-18-21-12-6-4-7-13-21/h4-9,12-15,20H,10-11,16-19H2,1-3H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.555 g/mol  logS: -4.63751  SlogP: 5.0365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096631  Sterimol/B1: 4.20723  Sterimol/B2: 4.55087  Sterimol/B3: 4.67081
  Sterimol/B4: 7.6662  Sterimol/L: 20.9517 
 
 Surface and Volume Properties
  Accessible surface: 791.192  Positive charged surface: 537.473  Negative charged surface: 253.719  Volume: 459.875
  Hydrophobic surface: 648.05  Hydrophilic surface: 143.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.