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PUBCHEM-ZINC05674957

 MMsINC code: MMs03343603
Type: Neutral
Formula: C10H16N4O6
SMILES:   O1C(CO)C(O)C(O)C(O)C1N(C(=O)c1[nH]ncn1)C
InChI:   InChI=1/C10H16N4O6/c1-14(9(19)8-11-3-12-13-8)10-7(18)6(17)5(16)4(2-15)20-10/h3-7,10,15-18H,2H2,1H3,(H,11,12,13)/t4-,5+,6+,7-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=129.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.26 g/mol  logS: 0.78261  SlogP: -3.3234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162044  Sterimol/B1: 2.95884  Sterimol/B2: 3.62641  Sterimol/B3: 3.91147
  Sterimol/B4: 7.65047  Sterimol/L: 12.2881 
 
 Surface and Volume Properties
  Accessible surface: 450.18  Positive charged surface: 365.06  Negative charged surface: 85.1198  Volume: 236.125
  Hydrophobic surface: 177.282  Hydrophilic surface: 272.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.