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NCID-ZINC04878825

 MMsINC code: MMs02411702
Type: Neutral
Formula: C10H11FN4O5
SMILES:   FC=1NC(=O)c2ncn(c2N=1)C1OC(CO)C(O)C1O
InChI:   InChI=1/C10H11FN4O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,13,14,19)/t3-,5+,6-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.219 g/mol  logS: -1.0981  SlogP: -1.7095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747187  Sterimol/B1: 2.29539  Sterimol/B2: 3.062  Sterimol/B3: 3.60975
  Sterimol/B4: 5.59428  Sterimol/L: 13.0646 
 
 Surface and Volume Properties
  Accessible surface: 440.469  Positive charged surface: 282.735  Negative charged surface: 157.734  Volume: 220
  Hydrophobic surface: 135.631  Hydrophilic surface: 304.838
 
 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: no related molecules available.