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ASINEX-ZINC00524933

 MMsINC code: MMs00138007
Type: Ionized
Formula: C11H10NO3-
SMILES:   Oc1cc2c(n(C)c(C)c2C(=O)[O-])cc1
InChI:   InChI=1/C11H11NO3/c1-6-10(11(14)15)8-5-7(13)3-4-9(8)12(6)2/h3-5,13H,1-2H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.9169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.205 g/mol  logS: -1.75008  SlogP: 0.91502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235098  Sterimol/B1: 2.35865  Sterimol/B2: 2.48642  Sterimol/B3: 4.73486
  Sterimol/B4: 4.97267  Sterimol/L: 11.2084 
 
 Surface and Volume Properties
  Accessible surface: 381.284  Positive charged surface: 214.476  Negative charged surface: 161.506  Volume: 190.375
  Hydrophobic surface: 246.077  Hydrophilic surface: 135.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs00138006
ASINEX-ZINC00524933