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NCID-ZINC05328305

 MMsINC code: MMs02451448
Type: Neutral
Formula: C32H28N2O4
SMILES:   O=C1N(CCCCCCCCN2C(=O)c3c4c(cccc4ccc3)C2=O)C(=O)c2c3c1cccc3cc
c2
InChI:   InChI=1/C32H28N2O4/c35-29-23-15-7-11-21-12-8-16-24(27(21)23)30(36)33(29)19-5-3-1-2-4-6-20-34-31(37)25-17-9-13-22-14-10-18-26(28(22)25)32(34)38/h7-18H,1-6,19-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.1435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.586 g/mol  logS: -9.8722  SlogP: 6.2258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177054  Sterimol/B1: 2.44031  Sterimol/B2: 3.19007  Sterimol/B3: 4.08322
  Sterimol/B4: 7.23926  Sterimol/L: 25.1863 
 
 Surface and Volume Properties
  Accessible surface: 827.167  Positive charged surface: 490.498  Negative charged surface: 314.526  Volume: 483.125
  Hydrophobic surface: 705.172  Hydrophilic surface: 121.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.