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NCID-ZINC05539069

 MMsINC code: MMs02471098
Type: Neutral
Formula: C10H14N4O6
SMILES:   O1CC(O)C(O)C(O)C1n1cnc(NC=O)c1C(=O)N
InChI:   InChI=1/C10H14N4O6/c11-8(19)5-9(13-3-15)12-2-14(5)10-7(18)6(17)4(16)1-20-10/h2-4,6-7,10,16-18H,1H2,(H2,11,19)(H,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)=53.7132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.244 g/mol  logS: -0.26237  SlogP: -2.7427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136966  Sterimol/B1: 2.35005  Sterimol/B2: 3.4827  Sterimol/B3: 3.7281
  Sterimol/B4: 6.42051  Sterimol/L: 13.6764 
 
 Surface and Volume Properties
  Accessible surface: 470.66  Positive charged surface: 361.637  Negative charged surface: 109.023  Volume: 233.125
  Hydrophobic surface: 157.003  Hydrophilic surface: 313.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.