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NCID-ZINC01566172

 MMsINC code: MMs02227539
Type: Neutral
Formula: C11H17Cl2N2O3P
SMILES:   ClCCN(P(OCc1ccccc1)(=O)NO)CCCl
InChI:   InChI=1/C11H17Cl2N2O3P/c12-6-8-15(9-7-13)19(17,14-16)18-10-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,14,17)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=22.4454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.148 g/mol  logS: -2.31746  SlogP: 2.2659  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129628  Sterimol/B1: 3.42513  Sterimol/B2: 4.67377  Sterimol/B3: 5.33212
  Sterimol/B4: 5.56969  Sterimol/L: 15.6308 
 
 Surface and Volume Properties
  Accessible surface: 555.731  Positive charged surface: 273.764  Negative charged surface: 281.967  Volume: 278.75
  Hydrophobic surface: 309.906  Hydrophilic surface: 245.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.