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NCID-ZINC04991219

 MMsINC code: MMs02425078
Type: Neutral
Formula: C16H10O
SMILES:   o1c2c(c3c(cc2)cccc3)c2c1cccc2
InChI:   InChI=1/C16H10O/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.255 g/mol  logS: -6.55477  SlogP: 4.7392  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.04732e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09902  Sterimol/B3: 3.36001
  Sterimol/B4: 6.49486  Sterimol/L: 12.9476 
 
 Surface and Volume Properties
  Accessible surface: 417.287  Positive charged surface: 198.606  Negative charged surface: 195.14  Volume: 217.75
  Hydrophobic surface: 405.001  Hydrophilic surface: 12.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.