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CHEMBLOCK-ZINC01437098

 MMsINC code: MMs00525315
Type: Neutral
Formula: C12H12Cl2N2O5
SMILES:   ClC(Cl)C(=O)NC1COCOC1c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C12H12Cl2N2O5/c13-11(14)12(17)15-8-5-20-6-21-10(8)7-3-1-2-4-9(7)16(18)19/h1-4,8,10-11H,5-6H2,(H,15,17)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=93.2303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.143 g/mol  logS: -3.87215  SlogP: 2.4441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.380171  Sterimol/B1: 2.39633  Sterimol/B2: 5.43863  Sterimol/B3: 5.65716
  Sterimol/B4: 6.25388  Sterimol/L: 10.8969 
 
 Surface and Volume Properties
  Accessible surface: 493.682  Positive charged surface: 212.425  Negative charged surface: 281.256  Volume: 264.5
  Hydrophobic surface: 243.146  Hydrophilic surface: 250.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.