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NCID-ZINC04696710

 MMsINC code: MMs02394210
Type: Neutral
Formula: C27H18O
SMILES:   OC1(c2c(-c3c1cccc3)cccc2)c1c2c(c3c(c1)cccc3)cccc2
InChI:   InChI=1/C27H18O/c28-27(24-15-7-5-13-22(24)23-14-6-8-16-25(23)27)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17,28H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.44 g/mol  logS: -9.22834  SlogP: 6.5691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.325272  Sterimol/B1: 3.38073  Sterimol/B2: 6.00768  Sterimol/B3: 6.0143
  Sterimol/B4: 7.21003  Sterimol/L: 13.9897 
 
 Surface and Volume Properties
  Accessible surface: 581.925  Positive charged surface: 308.032  Negative charged surface: 251.577  Volume: 355.625
  Hydrophobic surface: 548.838  Hydrophilic surface: 33.087
 
 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.