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NCID-ZINC01859418

 MMsINC code: MMs02373107
Type: Neutral
Formula: C26H24NO4+
SMILES:   O(C)c1c2c(ccc1OC)cc1c(c2)c[n+]2cc(c3cc(OC)c(OC)cc3c2c1)C
InChI:   InChI=1/C26H24NO4/c1-15-13-27-14-18-9-20-16(6-7-23(28-2)26(20)31-5)8-17(18)10-22(27)21-12-25(30-4)24(29-3)11-19(15)21/h6-14H,1-5H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=176.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.481 g/mol  logS: -7.42569  SlogP: 5.22772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0101007  Sterimol/B1: 2.36447  Sterimol/B2: 2.52042  Sterimol/B3: 3.14426
  Sterimol/B4: 9.94058  Sterimol/L: 20.9699 
 
 Surface and Volume Properties
  Accessible surface: 692.975  Positive charged surface: 522.312  Negative charged surface: 138.206  Volume: 403.125
  Hydrophobic surface: 624.341  Hydrophilic surface: 68.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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.