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NANOSIN-ZINC04718460

 MMsINC code: MMs02209632
Type: Neutral
Formula: C11H16N6O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2ncnc(N)c2nc1NC
InChI:   InChI=1/C11H16N6O4/c1-13-11-16-5-8(12)14-3-15-9(5)17(11)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,16)(H2,12,14,15)/t4-,6+,7-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.8862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.287 g/mol  logS: -1.36088  SlogP: -1.8428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0944767  Sterimol/B1: 2.55094  Sterimol/B2: 3.14418  Sterimol/B3: 3.55145
  Sterimol/B4: 7.89509  Sterimol/L: 11.812 
 
 Surface and Volume Properties
  Accessible surface: 484.114  Positive charged surface: 409.67  Negative charged surface: 74.4442  Volume: 250.75
  Hydrophobic surface: 199.835  Hydrophilic surface: 284.279
 
 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.