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CHEMSTAR-ZINC04016336

 MMsINC code: MMs01087411
Type: Neutral
Formula: C32H30N2O2
SMILES:   O1CC1COc1c2c([nH]cc2CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1
InChI:   InChI=1/C32H30N2O2/c1-4-11-25(12-5-1)32(26-13-6-2-7-14-26,27-15-8-3-9-16-27)34-20-19-24-21-33-29-17-10-18-30(31(24)29)36-23-28-22-35-28/h1-18,21,28,33-34H,19-20,22-23H2/t28-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.604 g/mol  logS: -7.12231  SlogP: 6.38117  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.228368  Sterimol/B1: 2.45778  Sterimol/B2: 4.39636  Sterimol/B3: 6.15894
  Sterimol/B4: 10.8967  Sterimol/L: 16.0078 
 
 Surface and Volume Properties
  Accessible surface: 748.105  Positive charged surface: 432.975  Negative charged surface: 310.595  Volume: 480.75
  Hydrophobic surface: 670.885  Hydrophilic surface: 77.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.