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CHEMBLOCK-ZINC00031380

 MMsINC code: MMs00485651
Type: Neutral
Formula: C10H11NO5
SMILES:   O1COCC(O)C1c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H11NO5/c12-9-5-15-6-16-10(9)7-1-3-8(4-2-7)11(13)14/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=66.6753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -2.08575  SlogP: 1.0966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129404  Sterimol/B1: 2.44423  Sterimol/B2: 2.87868  Sterimol/B3: 4.45226
  Sterimol/B4: 4.89799  Sterimol/L: 12.5638 
 
 Surface and Volume Properties
  Accessible surface: 404.739  Positive charged surface: 241.101  Negative charged surface: 163.638  Volume: 193.375
  Hydrophobic surface: 242.229  Hydrophilic surface: 162.51
 
 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.