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CHEMDIV-ZINC04660178

 MMsINC code: MMs00940153
Type: Neutral
Formula: C27H26N2O2
SMILES:   O(C)c1ccc(OC)cc1C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2
InChI:   InChI=1/C27H26N2O2/c1-16-25(19-9-5-7-11-22(19)28-16)27(21-15-18(30-3)13-14-24(21)31-4)26-17(2)29-23-12-8-6-10-20(23)26/h5-15,27-29H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.517 g/mol  logS: -6.13761  SlogP: 6.46344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.674093  Sterimol/B1: 2.88683  Sterimol/B2: 5.92914  Sterimol/B3: 6.12049
  Sterimol/B4: 8.51788  Sterimol/L: 12.0086 
 
 Surface and Volume Properties
  Accessible surface: 664.814  Positive charged surface: 450.451  Negative charged surface: 211.587  Volume: 408.625
  Hydrophobic surface: 603.065  Hydrophilic surface: 61.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.