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ASINEX-ZINC00135487

 MMsINC code: MMs00081022
Type: Ionized
Formula: C12H10NO2-
SMILES:   O=C([O-])c1[nH]c(cc1)-c1ccc(cc1)C
InChI:   InChI=1/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.217 g/mol  logS: -3.07997  SlogP: 1.35362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194846  Sterimol/B1: 2.39436  Sterimol/B2: 2.54334  Sterimol/B3: 3.79102
  Sterimol/B4: 4.2069  Sterimol/L: 14.0029 
 
 Surface and Volume Properties
  Accessible surface: 411.547  Positive charged surface: 201.352  Negative charged surface: 210.195  Volume: 195.75
  Hydrophobic surface: 293.094  Hydrophilic surface: 118.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00081021
ASINEX-ZINC00135487