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PUBCHEM-ZINC00799133

 MMsINC code: MMs02738412
Type: Neutral
Formula: C32H26N2O2
SMILES:   O=C1N(CN(Cc2ccccc2)c2ccccc2)C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
InChI:   InChI=1/C32H26N2O2/c35-31-29-27-23-15-7-8-16-24(23)28(26-18-10-9-17-25(26)27)30(29)32(36)34(31)20-33(22-13-5-2-6-14-22)19-21-11-3-1-4-12-21/h1-18,27-30H,19-20H2/t27-,28+,29-,30+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.572 g/mol  logS: -6.55404  SlogP: 5.8093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151955  Sterimol/B1: 3.16418  Sterimol/B2: 4.24982  Sterimol/B3: 5.07621
  Sterimol/B4: 8.68301  Sterimol/L: 18.0307 
 
 Surface and Volume Properties
  Accessible surface: 671.297  Positive charged surface: 397.507  Negative charged surface: 273.79  Volume: 460.375
  Hydrophobic surface: 613.036  Hydrophilic surface: 58.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.