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ACROSORGANICS-ZINC02168690

 MMsINC code: MMs00013101
Type: Neutral
Formula: C13H18NO7P
SMILES:   P(OC)(OC)(=O)C(NC(OCc1ccccc1)=O)C(OC)=O
InChI:   InChI=1/C13H18NO7P/c1-18-12(15)11(22(17,19-2)20-3)14-13(16)21-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=43.4251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.261 g/mol  logS: -1.91757  SlogP: 1.094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940207  Sterimol/B1: 2.32893  Sterimol/B2: 3.17452  Sterimol/B3: 5.1549
  Sterimol/B4: 7.66371  Sterimol/L: 16.575 
 
 Surface and Volume Properties
  Accessible surface: 597.337  Positive charged surface: 421.458  Negative charged surface: 175.879  Volume: 290.25
  Hydrophobic surface: 472.055  Hydrophilic surface: 125.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.