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ACROSORGANICS-ZINC02504359

 MMsINC code: MMs00013643
Type: Neutral
Formula: C18H15O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChI:   InChI=1/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H

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Potential Energy
Epot(MMFF94)=74.4831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.289 g/mol  logS: -5.12166  SlogP: 5.4503  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139119  Sterimol/B1: 2.67449  Sterimol/B2: 3.95812  Sterimol/B3: 4.39951
  Sterimol/B4: 8.49325  Sterimol/L: 13.2864 
 
 Surface and Volume Properties
  Accessible surface: 553.678  Positive charged surface: 304.236  Negative charged surface: 249.442  Volume: 296.75
  Hydrophobic surface: 549.214  Hydrophilic surface: 4.4639999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.