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ACROSORGANICS-ZINC02539644

 MMsINC code: MMs00014122
Type: Neutral
Formula: C19H14NO5P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(Oc1noc2c1cccc2)=O
InChI:   InChI=1/C19H14NO5P/c21-26(23-15-9-3-1-4-10-15,24-16-11-5-2-6-12-16)25-19-17-13-7-8-14-18(17)22-20-19/h1-14H

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Potential Energy
Epot(MMFF94)=92.5891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.297 g/mol  logS: -5.77647  SlogP: 4.4025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141134  Sterimol/B1: 3.83949  Sterimol/B2: 3.84401  Sterimol/B3: 5.02526
  Sterimol/B4: 5.06933  Sterimol/L: 15.227 
 
 Surface and Volume Properties
  Accessible surface: 546.079  Positive charged surface: 295.373  Negative charged surface: 247.525  Volume: 318.625
  Hydrophobic surface: 475.789  Hydrophilic surface: 70.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.