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PUBCHEM-ZINC01591592

 MMsINC code: MMs02815628
Type: Neutral
Formula: C10H15N5O3
SMILES:   O(CC(O)CO)CCn1c2ncnc(N)c2nc1
InChI:   InChI=1/C10H15N5O3/c11-9-8-10(13-5-12-9)15(6-14-8)1-2-18-4-7(17)3-16/h5-7,16-17H,1-4H2,(H2,11,12,13)/t7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.6633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.262 g/mol  logS: -1.13565  SlogP: -0.9553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454336  Sterimol/B1: 2.54718  Sterimol/B2: 3.10976  Sterimol/B3: 3.28495
  Sterimol/B4: 6.75026  Sterimol/L: 16.7616 
 
 Surface and Volume Properties
  Accessible surface: 491.929  Positive charged surface: 399.728  Negative charged surface: 92.2019  Volume: 227.875
  Hydrophobic surface: 234.196  Hydrophilic surface: 257.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.