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NCID-ZINC01870300

 MMsINC code: MMs02376071
Type: Ionized
Formula: C7H5NO7P-
SMILES:   P(O)(O)(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]
InChI:   InChI=1/C7H6NO7P/c9-7(10)6-4(8(11)12)2-1-3-5(6)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15)/p-1

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Potential Energy
Epot(MMFF94)=-53.0579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.091 g/mol  logS: -1.76496  SlogP: -2.3089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686425  Sterimol/B1: 2.55616  Sterimol/B2: 2.9385  Sterimol/B3: 3.49672
  Sterimol/B4: 6.73303  Sterimol/L: 11.0534 
 
 Surface and Volume Properties
  Accessible surface: 370.787  Positive charged surface: 111.799  Negative charged surface: 258.989  Volume: 171.375
  Hydrophobic surface: 117.33  Hydrophilic surface: 253.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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:


MMs02376070
NCID-ZINC01870300