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ACROSORGANICS-ZINC04262489

 MMsINC code: MMs00017573
Type: Neutral
Formula: C10H14N2O3
SMILES:   O(CCCC)c1cc([N+](=O)[O-])c(N)cc1
InChI:   InChI=1/C10H14N2O3/c1-2-3-6-15-8-4-5-9(11)10(7-8)12(13)14/h4-5,7H,2-3,6,11H2,1H3

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Potential Energy
Epot(MMFF94)=61.1204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.233 g/mol  logS: -2.99057  SlogP: 2.3559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184984  Sterimol/B1: 2.40879  Sterimol/B2: 2.45787  Sterimol/B3: 4.30143
  Sterimol/B4: 4.30694  Sterimol/L: 14.7629 
 
 Surface and Volume Properties
  Accessible surface: 432.423  Positive charged surface: 265.777  Negative charged surface: 166.646  Volume: 198.875
  Hydrophobic surface: 275.972  Hydrophilic surface: 156.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.