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PUBCHEM-ZINC05854133

 MMsINC code: MMs03418603
Type: Neutral
Formula: C10H16N4O5
SMILES:   O1C(CO)C(O)C(O)C1n1nc(nc1)C(OCC)=N
InChI:   InChI=1/C10H16N4O5/c1-2-18-8(11)9-12-4-14(13-9)10-7(17)6(16)5(3-15)19-10/h4-7,10-11,15-17H,2-3H2,1H3/b11-8-/t5-,6-,7-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=107.001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.261 g/mol  logS: -0.1835  SlogP: -1.65303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697189  Sterimol/B1: 3.38984  Sterimol/B2: 3.58982  Sterimol/B3: 4.23915
  Sterimol/B4: 5.07298  Sterimol/L: 15.4456 
 
 Surface and Volume Properties
  Accessible surface: 510.046  Positive charged surface: 370.264  Negative charged surface: 139.783  Volume: 238.875
  Hydrophobic surface: 243.56  Hydrophilic surface: 266.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03418604
PUBCHEM-ZINC05854133