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NCID-ZINC04775725

 MMsINC code: MMs02404258
Type: Neutral
Formula: C4H8N2O4
SMILES:   O=C(NO)CCC(=O)NO
InChI:   InChI=1/C4H8N2O4/c7-3(5-9)1-2-4(8)6-10/h9-10H,1-2H2,(H,5,7)(H,6,8)

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Potential Energy
Epot(MMFF94)=49.3667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: 0.48172  SlogP: -1.2226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223653  Sterimol/B1: 2.37489  Sterimol/B2: 2.37527  Sterimol/B3: 2.86649
  Sterimol/B4: 3.789  Sterimol/L: 12.7541 
 
 Surface and Volume Properties
  Accessible surface: 328.924  Positive charged surface: 204.206  Negative charged surface: 124.718  Volume: 124.25
  Hydrophobic surface: 69.6523  Hydrophilic surface: 259.2717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.