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ASINEX-ZINC00336313

 MMsINC code: MMs00120370
Type: Neutral
Formula: C9H12N4O4
SMILES:   O1CCN(CC1)C(=O)Cn1cc([N+](=O)[O-])nc1
InChI:   InChI=1/C9H12N4O4/c14-9(12-1-3-17-4-2-12)6-11-5-8(10-7-11)13(15)16/h5,7H,1-4,6H2

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Potential Energy
Epot(MMFF94)=76.2743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.219 g/mol  logS: -1.34266  SlogP: -0.0835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950863  Sterimol/B1: 2.71658  Sterimol/B2: 3.44404  Sterimol/B3: 3.89663
  Sterimol/B4: 4.46369  Sterimol/L: 14.1702 
 
 Surface and Volume Properties
  Accessible surface: 437.981  Positive charged surface: 291.375  Negative charged surface: 146.606  Volume: 205.75
  Hydrophobic surface: 265.938  Hydrophilic surface: 172.043
 
 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: no related molecules available.