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ENAMINE-ZINC03887367

 MMsINC code: MMs01528552
Type: Neutral
Formula: C8H8Cl2N2O
SMILES:   Clc1ccc(nc1)NC(=O)C(Cl)C
InChI:   InChI=1/C8H8Cl2N2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-5H,1H3,(H,11,12,13)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=36.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.071 g/mol  logS: -2.46687  SlogP: 2.7207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462476  Sterimol/B1: 2.49642  Sterimol/B2: 3.45333  Sterimol/B3: 4.30286
  Sterimol/B4: 4.63101  Sterimol/L: 13.3207 
 
 Surface and Volume Properties
  Accessible surface: 406.028  Positive charged surface: 189.182  Negative charged surface: 216.846  Volume: 183.125
  Hydrophobic surface: 264.927  Hydrophilic surface: 141.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.