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PUBCHEM-ZINC03643621

 MMsINC code: MMs03032263
Type: Neutral
Formula: C9H10NO7P
SMILES:   P(Oc1cc(C=O)c([N+](=O)[O-])cc1)(OC)(OC)=O
InChI:   InChI=1/C9H10NO7P/c1-15-18(14,16-2)17-8-3-4-9(10(12)13)7(5-8)6-11/h3-6H,1-2H3

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Potential Energy
Epot(MMFF94)=45.5043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.153 g/mol  logS: -2.36436  SlogP: 1.1168  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0394084  Sterimol/B1: 2.58362  Sterimol/B2: 2.97955  Sterimol/B3: 3.07504
  Sterimol/B4: 6.32876  Sterimol/L: 14.02 
 
 Surface and Volume Properties
  Accessible surface: 442.513  Positive charged surface: 248.478  Negative charged surface: 194.035  Volume: 215.625
  Hydrophobic surface: 253.749  Hydrophilic surface: 188.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  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: no related molecules available.