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ENAMINE-ZINC04530667

 MMsINC code: MMs01546350
Type: Neutral
Formula: C18H16NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)Nc1ccccc1
InChI:   InChI=1/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20)

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Potential Energy
Epot(MMFF94)=58.3401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.304 g/mol  logS: -4.53669  SlogP: 4.2944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120726  Sterimol/B1: 2.50354  Sterimol/B2: 3.45434  Sterimol/B3: 4.35341
  Sterimol/B4: 9.7736  Sterimol/L: 14.4097 
 
 Surface and Volume Properties
  Accessible surface: 553.42  Positive charged surface: 296.434  Negative charged surface: 256.987  Volume: 305.125
  Hydrophobic surface: 508.732  Hydrophilic surface: 44.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.