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ASINEX-ZINC00143065

 MMsINC code: MMs00081938
Type: Ionized
Formula: C16H13N2O4-
SMILES:   O=C(NNC(=O)c1ccccc1C)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C16H14N2O4/c1-10-6-2-3-7-11(10)14(19)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1

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Potential Energy
Epot(MMFF94)=64.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.29 g/mol  logS: -4.28717  SlogP: 0.43332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922652  Sterimol/B1: 2.25554  Sterimol/B2: 2.94207  Sterimol/B3: 4.86746
  Sterimol/B4: 6.1636  Sterimol/L: 16.4967 
 
 Surface and Volume Properties
  Accessible surface: 528.069  Positive charged surface: 262.433  Negative charged surface: 265.636  Volume: 271.125
  Hydrophobic surface: 378.12  Hydrophilic surface: 149.949
 
 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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Parent related molecule:


MMs00081937
ASINEX-ZINC00143065