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ACROSORGANICS-ZINC04284448

 MMsINC code: MMs00018105
Type: Neutral
Formula: C19H18O3P+
SMILES:   [P+](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)C
InChI:   InChI=1/C19H18O3P/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h2-16H,1H3/q+1

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Potential Energy
Epot(MMFF94)=85.1954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.324 g/mol  logS: -4.99128  SlogP: 5.6158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182367  Sterimol/B1: 2.41663  Sterimol/B2: 4.55446  Sterimol/B3: 5.75058
  Sterimol/B4: 7.07699  Sterimol/L: 13.1446 
 
 Surface and Volume Properties
  Accessible surface: 553.259  Positive charged surface: 312.461  Negative charged surface: 240.799  Volume: 315.875
  Hydrophobic surface: 522.845  Hydrophilic surface: 30.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.