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ACROSORGANICS-ZINC01631194

 MMsINC code: MMs00009976
Type: Neutral
Formula: C11H16NO5P
SMILES:   P(OCC)(OCC)(=O)Cc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3

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Potential Energy
Epot(MMFF94)=49.0499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.225 g/mol  logS: -2.82393  SlogP: 2.5571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082094  Sterimol/B1: 2.19129  Sterimol/B2: 3.18908  Sterimol/B3: 3.63286
  Sterimol/B4: 7.41517  Sterimol/L: 15.1735 
 
 Surface and Volume Properties
  Accessible surface: 502.491  Positive charged surface: 286.526  Negative charged surface: 215.965  Volume: 243.375
  Hydrophobic surface: 343.207  Hydrophilic surface: 159.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.