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NCID-ZINC04962249

 MMsINC code: MMs02418916
Type: Neutral
Formula: C10H8O4
SMILES:   OC(=O)C1=CC=CC=CC=C1C(O)=O
InChI:   InChI=1/C10H8O4/c11-9(12)7-5-3-1-2-4-6-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-

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Potential Energy
Epot(MMFF94)=8.87175e+07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.17 g/mol  logS: -1.77352  SlogP: 1.1344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.327501  Sterimol/B1: 2.59142  Sterimol/B2: 3.22541  Sterimol/B3: 4.56456
  Sterimol/B4: 4.88669  Sterimol/L: 8.79389 
 
 Surface and Volume Properties
  Accessible surface: 362.945  Positive charged surface: 218.15  Negative charged surface: 144.796  Volume: 170
  Hydrophobic surface: 198.683  Hydrophilic surface: 164.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02418917
NCID-ZINC04962249