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NCID-ZINC01641392

 MMsINC code: MMs02283373
Type: Neutral
Formula: C31H30N2O
SMILES:   O(Cc1ccccc1)c1cc2c([nH]cc2CCN(Cc2ccccc2)Cc2ccccc2)cc1
InChI:   InChI=1/C31H30N2O/c1-4-10-25(11-5-1)22-33(23-26-12-6-2-7-13-26)19-18-28-21-32-31-17-16-29(20-30(28)31)34-24-27-14-8-3-9-15-27/h1-17,20-21,32H,18-19,22-24H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.594 g/mol  logS: -6.96178  SlogP: 7.79097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497718  Sterimol/B1: 2.45409  Sterimol/B2: 3.90518  Sterimol/B3: 4.94804
  Sterimol/B4: 10.3663  Sterimol/L: 18.2722 
 
 Surface and Volume Properties
  Accessible surface: 779.525  Positive charged surface: 455.093  Negative charged surface: 319.313  Volume: 466.75
  Hydrophobic surface: 709.165  Hydrophilic surface: 70.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02283374
NCID-ZINC01641392