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AURORAFEINCHEMIE-ZINC01445016

 MMsINC code: MMs00448462
Type: Neutral
Formula: C10H14NO4P
SMILES:   P(Oc1ccc([N+](=O)[O-])cc1)(=O)(CC)CC
InChI:   InChI=1/C10H14NO4P/c1-3-16(14,4-2)15-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=51.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.199 g/mol  logS: -2.50355  SlogP: 2.2213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106456  Sterimol/B1: 2.38296  Sterimol/B2: 3.10665  Sterimol/B3: 3.19941
  Sterimol/B4: 7.839  Sterimol/L: 11.9413 
 
 Surface and Volume Properties
  Accessible surface: 425.143  Positive charged surface: 209.974  Negative charged surface: 215.17  Volume: 213.75
  Hydrophobic surface: 267.407  Hydrophilic surface: 157.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.