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NCID-ZINC01567798

 MMsINC code: MMs02228758
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.56584 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: 0.0944813  Sterimol/B1: 2.32103  Sterimol/B2: 2.88272  Sterimol/B3: 4.251
  Sterimol/B4: 8.08139  Sterimol/L: 14.0839 
 
 Surface and Volume Properties
  Accessible surface: 495.583  Positive charged surface: 285.103  Negative charged surface: 210.48  Volume: 242.125
  Hydrophobic surface: 241.893  Hydrophilic surface: 253.69
 
 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.