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ACROSORGANICS-ZINC01597165

 MMsINC code: MMs00009741
Type: Neutral
Formula: C15H19O3P
SMILES:   P(OCC)(OCC)(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.1144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.288 g/mol  logS: -3.91158  SlogP: 3.8021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134801  Sterimol/B1: 2.83972  Sterimol/B2: 4.06342  Sterimol/B3: 4.46477
  Sterimol/B4: 5.98238  Sterimol/L: 14.2842 
 
 Surface and Volume Properties
  Accessible surface: 512.068  Positive charged surface: 325.035  Negative charged surface: 179.697  Volume: 273.25
  Hydrophobic surface: 437.961  Hydrophilic surface: 74.107
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.