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PUBCHEM-ZINC01020131

 MMsINC code: MMs02758786
Type: Neutral
Formula: C10H16N6O4
SMILES:   O1C(CO)C(O)C(O)C1N1c2ncnc(NN)c2NC1
InChI:   InChI=1/C10H16N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2,4,6-7,10,14,17-19H,1,3,11H2,(H,12,13,15)/t4-,6-,7+,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.276 g/mol  logS: 0.24613  SlogP: -2.6094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543808  Sterimol/B1: 2.5633  Sterimol/B2: 3.2851  Sterimol/B3: 3.33393
  Sterimol/B4: 6.36675  Sterimol/L: 14.9328 
 
 Surface and Volume Properties
  Accessible surface: 489.872  Positive charged surface: 396.341  Negative charged surface: 93.5311  Volume: 239.375
  Hydrophobic surface: 150.232  Hydrophilic surface: 339.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.