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NCID-ZINC01760258

 MMsINC code: MMs02366848
Type: Neutral
Formula: C8H14N4O2
SMILES:   O=C1N(C)C(=O)N(C)C(NC)=C1NC
InChI:   InChI=1/C8H14N4O2/c1-9-5-6(10-2)11(3)8(14)12(4)7(5)13/h9-10H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.0379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.226 g/mol  logS: -0.15526  SlogP: -0.8819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753334  Sterimol/B1: 2.4071  Sterimol/B2: 2.57165  Sterimol/B3: 3.12269
  Sterimol/B4: 7.65398  Sterimol/L: 10.1232 
 
 Surface and Volume Properties
  Accessible surface: 387.181  Positive charged surface: 349.965  Negative charged surface: 37.2164  Volume: 185.75
  Hydrophobic surface: 290.476  Hydrophilic surface: 96.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.