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ENAMINE-ZINC05447289

 MMsINC code: MMs01615376
Type: Neutral
Formula: C14H11N2O3-
SMILES:   Oc1ccc(N\N=C\c2ccccc2C(=O)[O-])cc1
InChI:   InChI=1/C14H12N2O3/c17-12-7-5-11(6-8-12)16-15-9-10-3-1-2-4-13(10)14(18)19/h1-9,16-17H,(H,18,19)/p-1/b15-9+

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Potential Energy
Epot(MMFF94)=55.7033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.253 g/mol  logS: -2.87481  SlogP: 1.2017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00363669  Sterimol/B1: 2.11998  Sterimol/B2: 2.56642  Sterimol/B3: 2.84761
  Sterimol/B4: 6.71902  Sterimol/L: 15.381 
 
 Surface and Volume Properties
  Accessible surface: 478.788  Positive charged surface: 242.834  Negative charged surface: 235.954  Volume: 238.25
  Hydrophobic surface: 314.147  Hydrophilic surface: 164.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules


MMs01615377
ENAMINE-ZINC05447289