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ENAMINE-ZINC03618778

 MMsINC code: MMs01525603
Type: Neutral
Formula: C13H8ClNO6
SMILES:   Clc1ccc(cc1)C(=O)COC(=O)c1oc([N+](=O)[O-])cc1
InChI:   InChI=1/C13H8ClNO6/c14-9-3-1-8(2-4-9)10(16)7-20-13(17)11-5-6-12(21-11)15(18)19/h1-6H,7H2

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Potential Energy
Epot(MMFF94)=79.1202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.661 g/mol  logS: -5.45321  SlogP: 2.8809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00296369  Sterimol/B1: 2.37331  Sterimol/B2: 2.37578  Sterimol/B3: 3.24086
  Sterimol/B4: 5.5361  Sterimol/L: 18.3442 
 
 Surface and Volume Properties
  Accessible surface: 517.812  Positive charged surface: 197.105  Negative charged surface: 320.707  Volume: 248.375
  Hydrophobic surface: 326.966  Hydrophilic surface: 190.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.