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NCID-ZINC05159185

 MMsINC code: MMs02444904
Type: Neutral
Formula: C34H32N2O4
SMILES:   O=C1N(CCCCCCCCCCN2C(=O)c3c4c(cccc4ccc3)C2=O)C(=O)c2c3c1cccc3
ccc2
InChI:   InChI=1/C34H32N2O4/c37-31-25-17-9-13-23-14-10-18-26(29(23)25)32(38)35(31)21-7-5-3-1-2-4-6-8-22-36-33(39)27-19-11-15-24-16-12-20-28(30(24)27)34(36)40/h9-20H,1-8,21-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.64 g/mol  logS: -10.9026  SlogP: 7.006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167765  Sterimol/B1: 2.44039  Sterimol/B2: 3.16853  Sterimol/B3: 4.30912
  Sterimol/B4: 7.23919  Sterimol/L: 27.5183 
 
 Surface and Volume Properties
  Accessible surface: 888.724  Positive charged surface: 545.571  Negative charged surface: 321.011  Volume: 520.875
  Hydrophobic surface: 766.516  Hydrophilic surface: 122.208
 
 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.