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NCID-ZINC02022270

 MMsINC code: MMs02377674
Type: Neutral
Formula: C9H16Cl2N2O
SMILES:   ClC1CCCCC1NC(=O)NCCCl
InChI:   InChI=1/C9H16Cl2N2O/c10-5-6-12-9(14)13-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H2,12,13,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.44622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.146 g/mol  logS: -2.09081  SlogP: 2.4943  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0629867  Sterimol/B1: 2.38596  Sterimol/B2: 2.97311  Sterimol/B3: 3.07817
  Sterimol/B4: 6.31078  Sterimol/L: 14.9276 
 
 Surface and Volume Properties
  Accessible surface: 450.678  Positive charged surface: 268.596  Negative charged surface: 182.082  Volume: 216
  Hydrophobic surface: 262.34  Hydrophilic surface: 188.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.