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CHEMBRIDGE-ZINC02932967

 MMsINC code: MMs00742363
Type: Neutral
Formula: C30H28N2O2
SMILES:   O=C(NC(C)c1ccccc1)c1ccccc1-c1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C30H28N2O2/c1-21(23-13-5-3-6-14-23)31-29(33)27-19-11-9-17-25(27)26-18-10-12-20-28(26)30(34)32-22(2)24-15-7-4-8-16-24/h3-22H,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.566 g/mol  logS: -8.29374  SlogP: 6.5266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231476  Sterimol/B1: 2.65257  Sterimol/B2: 4.86431  Sterimol/B3: 5.98745
  Sterimol/B4: 8.55385  Sterimol/L: 17.9836 
 
 Surface and Volume Properties
  Accessible surface: 732.262  Positive charged surface: 417.31  Negative charged surface: 313.266  Volume: 456
  Hydrophobic surface: 688.718  Hydrophilic surface: 43.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.