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PUBCHEM-ZINC06613546

 MMsINC code: MMs03818608
Type: Neutral
Formula: C4H10N4O2
SMILES:   ON(O)NC=1NCCCN=1
InChI:   InChI=1/C4H10N4O2/c9-8(10)7-4-5-2-1-3-6-4/h9-10H,1-3H2,(H2,5,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.53609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.15 g/mol  logS: 0.25759  SlogP: -1.0793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103428  Sterimol/B1: 2.62312  Sterimol/B2: 3.33028  Sterimol/B3: 3.40486
  Sterimol/B4: 3.98184  Sterimol/L: 10.3326 
 
 Surface and Volume Properties
  Accessible surface: 333.507  Positive charged surface: 258.45  Negative charged surface: 75.0565  Volume: 128.5
  Hydrophobic surface: 143.835  Hydrophilic surface: 189.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.