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PUBCHEM-ZINC05012620

 MMsINC code: MMs03189426
Type: Neutral
Formula: C10H15Cl2N3O2
SMILES:   ClCCN(CC1=CNC(=O)N(C)C1=O)CCCl
InChI:   InChI=1/C10H15Cl2N3O2/c1-14-9(16)8(6-13-10(14)17)7-15(4-2-11)5-3-12/h6H,2-5,7H2,1H3,(H,13,17)

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Potential Energy
Epot(MMFF94)=22.1459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.155 g/mol  logS: -1.7451  SlogP: 0.8315  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114337  Sterimol/B1: 2.90529  Sterimol/B2: 3.9795  Sterimol/B3: 4.88034
  Sterimol/B4: 5.25337  Sterimol/L: 13.643 
 
 Surface and Volume Properties
  Accessible surface: 480.312  Positive charged surface: 266.283  Negative charged surface: 214.03  Volume: 241.25
  Hydrophobic surface: 235.32  Hydrophilic surface: 244.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03189427
PUBCHEM-ZINC05012620