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PUBCHEM-ZINC03122120

 MMsINC code: MMs02996729
Type: Neutral
Formula: C29H20O
SMILES:   OC(c1c2c(cc3c1cccc3)cccc2)c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C29H20O/c30-29(27-23-13-5-1-9-19(23)17-20-10-2-6-14-24(20)27)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-18,29-30H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=221.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.478 g/mol  logS: -10.4353  SlogP: 7.4766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.355064  Sterimol/B1: 2.5085  Sterimol/B2: 3.9276  Sterimol/B3: 7.64523
  Sterimol/B4: 8.40492  Sterimol/L: 15.0101 
 
 Surface and Volume Properties
  Accessible surface: 593.742  Positive charged surface: 302.317  Negative charged surface: 267.537  Volume: 378.625
  Hydrophobic surface: 570.857  Hydrophilic surface: 22.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.