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AURORAFEINCHEMIE-ZINC04063198

 MMsINC code: MMs00465084
Type: Ionized
Formula: C10H9O4-
SMILES:   O1C(C1C(=O)[O-])c1ccc(OC)cc1
InChI:   InChI=1/C10H10O4/c1-13-7-4-2-6(3-5-7)8-9(14-8)10(11)12/h2-5,8-9H,1H3,(H,11,12)/p-1/t8-,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.178 g/mol  logS: -1.95659  SlogP: -0.0195  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.097724  Sterimol/B1: 3.67654  Sterimol/B2: 3.71636  Sterimol/B3: 3.89617
  Sterimol/B4: 3.96265  Sterimol/L: 12.466 
 
 Surface and Volume Properties
  Accessible surface: 385.184  Positive charged surface: 222.069  Negative charged surface: 163.115  Volume: 175.75
  Hydrophobic surface: 275.16  Hydrophilic surface: 110.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00465083
AURORAFEINCHEMIE-ZINC04063198