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PUBCHEM-ZINC03125838

 MMsINC code: MMs02997745
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)=98.5256 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: 0.308417  Sterimol/B1: 2.4396  Sterimol/B2: 4.27813  Sterimol/B3: 7.18514
  Sterimol/B4: 7.18942  Sterimol/L: 12.8782 
 
 Surface and Volume Properties
  Accessible surface: 572.629  Positive charged surface: 369.543  Negative charged surface: 203.086  Volume: 313.75
  Hydrophobic surface: 505.371  Hydrophilic surface: 67.258
 
 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.