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NCID-ZINC01731935

 MMsINC code: MMs02354722
Type: Neutral
Formula: C9H11ClNO4P
SMILES:   ClCC(=O)NP(OCc1ccccc1)(O)=O
InChI:   InChI=1/C9H11ClNO4P/c10-6-9(12)11-16(13,14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-32.2035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.617 g/mol  logS: -2.08387  SlogP: 0.8548  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0840051  Sterimol/B1: 3.27253  Sterimol/B2: 3.37611  Sterimol/B3: 4.02101
  Sterimol/B4: 5.67179  Sterimol/L: 13.1146 
 
 Surface and Volume Properties
  Accessible surface: 463.106  Positive charged surface: 221.26  Negative charged surface: 241.846  Volume: 215.625
  Hydrophobic surface: 257.714  Hydrophilic surface: 205.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.