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APOLLO-ZINC02565422

 MMsINC code: MMs00054134
Type: Neutral
Formula: C13H22NO4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)Nc1ccccc1OC
InChI:   InChI=1/C13H22NO4P/c1-10(2)17-19(15,18-11(3)4)14-12-8-6-7-9-13(12)16-5/h6-11H,1-5H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=19.3654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.296 g/mol  logS: -2.49175  SlogP: 2.995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255735  Sterimol/B1: 2.98306  Sterimol/B2: 4.29844  Sterimol/B3: 4.97559
  Sterimol/B4: 9.00592  Sterimol/L: 11.8984 
 
 Surface and Volume Properties
  Accessible surface: 528.249  Positive charged surface: 372.984  Negative charged surface: 155.264  Volume: 281.375
  Hydrophobic surface: 400.956  Hydrophilic surface: 127.293
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.