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NCID-ZINC01649282

 MMsINC code: MMs02289311
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=C1N(C)C(=O)N(c2nc([nH]c12)CCC)C
InChI:   InChI=1/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-19.9859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -1.5036  SlogP: 1.00397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362267  Sterimol/B1: 2.63593  Sterimol/B2: 3.38333  Sterimol/B3: 4.43744
  Sterimol/B4: 4.65707  Sterimol/L: 13.7393 
 
 Surface and Volume Properties
  Accessible surface: 433.908  Positive charged surface: 342.737  Negative charged surface: 91.1709  Volume: 208.125
  Hydrophobic surface: 295.197  Hydrophilic surface: 138.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.