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APOLLO-ZINC00153747

 MMsINC code: MMs00044111
Type: Ionized
Formula: C10H7O2-
SMILES:   O=C([O-])C=1c2c(CC=1)cccc2
InChI:   InChI=1/C10H8O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.164 g/mol  logS: -2.62746  SlogP: 0.37597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194815  Sterimol/B1: 2.38482  Sterimol/B2: 2.38537  Sterimol/B3: 4.05731
  Sterimol/B4: 4.36199  Sterimol/L: 10.8327 
 
 Surface and Volume Properties
  Accessible surface: 335.907  Positive charged surface: 173.643  Negative charged surface: 162.264  Volume: 153.125
  Hydrophobic surface: 227.965  Hydrophilic surface: 107.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00044110
APOLLO-ZINC00153747