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PUBCHEM-ZINC06403486

 MMsINC code: MMs03708085
Type: Neutral
Formula: C13H20Cl2N4O4
SMILES:   ClCCN(CCCl)C1=CN(CC(N)C(OCC)=O)C(=O)NC1=O
InChI:   InChI=1/C13H20Cl2N4O4/c1-2-23-12(21)9(16)7-19-8-10(11(20)17-13(19)22)18(5-3-14)6-4-15/h8-9H,2-7,16H2,1H3,(H,17,20,22)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=67.6412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.233 g/mol  logS: -2.2278  SlogP: 0.0496  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103543  Sterimol/B1: 3.93742  Sterimol/B2: 4.36287  Sterimol/B3: 5.24107
  Sterimol/B4: 5.71356  Sterimol/L: 16.5478 
 
 Surface and Volume Properties
  Accessible surface: 597.885  Positive charged surface: 333.575  Negative charged surface: 264.31  Volume: 316.375
  Hydrophobic surface: 256.471  Hydrophilic surface: 341.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.