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PUBCHEM-ZINC05196794

 MMsINC code: MMs03223108
Type: Neutral
Formula: C15H23ClNO3P
SMILES:   Cl\C(=C/C(P(OCC)(OCC)=O)N(C)C)\c1ccccc1
InChI:   InChI=1/C15H23ClNO3P/c1-5-19-21(18,20-6-2)15(17(3)4)12-14(16)13-10-8-7-9-11-13/h7-12,15H,5-6H2,1-4H3/b14-12-/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=100.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.78 g/mol  logS: -3.14897  SlogP: 3.3499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113836  Sterimol/B1: 4.1543  Sterimol/B2: 4.4055  Sterimol/B3: 5.11993
  Sterimol/B4: 6.53531  Sterimol/L: 16.2218 
 
 Surface and Volume Properties
  Accessible surface: 584.24  Positive charged surface: 381.891  Negative charged surface: 202.349  Volume: 315.75
  Hydrophobic surface: 514.145  Hydrophilic surface: 70.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.