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ENAMINE-ZINC05257381

 MMsINC code: MMs01602613
Type: Neutral
Formula: C18H16NO3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)=[NH]
InChI:   InChI=1/C18H16NO3P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H

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Potential Energy
Epot(MMFF94)=78.1215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.304 g/mol  logS: -5.10159  SlogP: 5.1839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172548  Sterimol/B1: 2.42822  Sterimol/B2: 2.83387  Sterimol/B3: 4.1396
  Sterimol/B4: 10.4134  Sterimol/L: 12.7776 
 
 Surface and Volume Properties
  Accessible surface: 551.328  Positive charged surface: 307.344  Negative charged surface: 243.984  Volume: 306.125
  Hydrophobic surface: 517.59  Hydrophilic surface: 33.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.