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NCID-ZINC01567796

 MMsINC code: MMs02228757
Type: Neutral
Formula: C8H17Cl2N2O3P
SMILES:   ClCCN(P1(OC(CN1)CCO)=O)CCCl
InChI:   InChI=1/C8H17Cl2N2O3P/c9-2-4-12(5-3-10)16(14)11-7-8(15-16)1-6-13/h8,13H,1-7H2,(H,11,14)/t8-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=-4.61059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.115 g/mol  logS: -0.50561  SlogP: 0.1747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0825188  Sterimol/B1: 2.11216  Sterimol/B2: 2.79312  Sterimol/B3: 4.10652
  Sterimol/B4: 8.06049  Sterimol/L: 14.1568 
 
 Surface and Volume Properties
  Accessible surface: 496.512  Positive charged surface: 289.394  Negative charged surface: 207.118  Volume: 241
  Hydrophobic surface: 240.535  Hydrophilic surface: 255.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.