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DSC-ZINC02522552

 MMsINC code: MMs01221705
Type: Neutral
Formula: C12H10NO5P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(O)(=O)c1ccccc1
InChI:   InChI=1/C12H10NO5P/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12/h1-9H,(H,16,17)

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Potential Energy
Epot(MMFF94)=49.9648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.188 g/mol  logS: -3.58237  SlogP: 1.4143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663278  Sterimol/B1: 3.00141  Sterimol/B2: 3.14291  Sterimol/B3: 3.89435
  Sterimol/B4: 4.1516  Sterimol/L: 15.8369 
 
 Surface and Volume Properties
  Accessible surface: 475.491  Positive charged surface: 201.138  Negative charged surface: 274.353  Volume: 232.75
  Hydrophobic surface: 325.012  Hydrophilic surface: 150.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.