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NCID-ZINC04918815

 MMsINC code: MMs02416183
Type: Neutral
Formula: C5H6Cl2N2O3
SMILES:   ClC1(Cl)C(OC)NC(=O)NC1=O
InChI:   InChI=1/C5H6Cl2N2O3/c1-12-3-5(6,7)2(10)8-4(11)9-3/h3H,1H3,(H2,8,9,10,11)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=0.986205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.02 g/mol  logS: -1.75037  SlogP: 0.3921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257759  Sterimol/B1: 2.47532  Sterimol/B2: 4.3396  Sterimol/B3: 4.60157
  Sterimol/B4: 5.0044  Sterimol/L: 8.76465 
 
 Surface and Volume Properties
  Accessible surface: 345.815  Positive charged surface: 159.559  Negative charged surface: 186.256  Volume: 152.75
  Hydrophobic surface: 93.5725  Hydrophilic surface: 252.2425
 
 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.