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NCID-ZINC01692298

 MMsINC code: MMs02324065
Type: Neutral
Formula: C9H12Cl2N4O3
SMILES:   ClCCN(CCCl)C(=O)NC1=CNC(=O)NC1=O
InChI:   InChI=1/C9H12Cl2N4O3/c10-1-3-15(4-2-11)9(18)13-6-5-12-8(17)14-7(6)16/h5H,1-4H2,(H,13,18)(H2,12,14,16,17)

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Potential Energy
Epot(MMFF94)=17.9447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.126 g/mol  logS: -1.91696  SlogP: 0.1564  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139305  Sterimol/B1: 2.48223  Sterimol/B2: 5.10536  Sterimol/B3: 5.24358
  Sterimol/B4: 5.79231  Sterimol/L: 13.8935 
 
 Surface and Volume Properties
  Accessible surface: 484.125  Positive charged surface: 234.661  Negative charged surface: 249.464  Volume: 234.75
  Hydrophobic surface: 163.328  Hydrophilic surface: 320.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.