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NCID-ZINC01573454

 MMsINC code: MMs02232914
Type: Neutral
Formula: C5H8Cl2N2O3
SMILES:   ClC(Cl)C(=O)NCC(N)C(O)=O
InChI:   InChI=1/C5H8Cl2N2O3/c6-3(7)4(10)9-1-2(8)5(11)12/h2-3H,1,8H2,(H,9,10)(H,11,12)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=43.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.036 g/mol  logS: -0.8616  SlogP: -0.2619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775644  Sterimol/B1: 2.63277  Sterimol/B2: 2.79935  Sterimol/B3: 3.10282
  Sterimol/B4: 4.33973  Sterimol/L: 12.3112 
 
 Surface and Volume Properties
  Accessible surface: 381.069  Positive charged surface: 173.141  Negative charged surface: 207.928  Volume: 164
  Hydrophobic surface: 68.2682  Hydrophilic surface: 312.8008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.