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PUBCHEM-ZINC01998339

 MMsINC code: MMs02840742
Type: Neutral
Formula: C9H15Cl2NO4
SMILES:   ClCC(OCCN(CCOC(=O)CCl)C)=O
InChI:   InChI=1/C9H15Cl2NO4/c1-12(2-4-15-8(13)6-10)3-5-16-9(14)7-11/h2-7H2,1H3

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Potential Energy
Epot(MMFF94)=53.6532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.128 g/mol  logS: -1.83533  SlogP: 0.4822  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.170086  Sterimol/B1: 2.39897  Sterimol/B2: 2.49579  Sterimol/B3: 4.51943
  Sterimol/B4: 8.14973  Sterimol/L: 12.4865 
 
 Surface and Volume Properties
  Accessible surface: 495.47  Positive charged surface: 300.537  Negative charged surface: 194.934  Volume: 232.375
  Hydrophobic surface: 277.01  Hydrophilic surface: 218.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02840743
PUBCHEM-ZINC01998339