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IBS-ZINC04062096

 MMsINC code: MMs01877893
Type: Neutral
Formula: C25H20O4
SMILES:   O1c2c(cccc2)C(O)(c2c1cccc2)c1c2c(cc(OC)cc2)c(OC)cc1
InChI:   InChI=1/C25H20O4/c1-27-16-11-12-17-18(15-16)22(28-2)14-13-19(17)25(26)20-7-3-5-9-23(20)29-24-10-6-4-8-21(24)25/h3-15,26H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.431 g/mol  logS: -7.21929  SlogP: 5.5584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243497  Sterimol/B1: 3.71459  Sterimol/B2: 4.19061  Sterimol/B3: 5.8175
  Sterimol/B4: 8.32847  Sterimol/L: 15.5512 
 
 Surface and Volume Properties
  Accessible surface: 615.071  Positive charged surface: 403.488  Negative charged surface: 202.11  Volume: 364.375
  Hydrophobic surface: 575.43  Hydrophilic surface: 39.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.