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NCID-ZINC01713493

 MMsINC code: MMs02339966
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=C(NC(=O)N)c1ccc(cc1)CNNC
InChI:   InChI=1/C10H14N4O2/c1-12-13-6-7-2-4-8(5-3-7)9(15)14-10(11)16/h2-5,12-13H,6H2,1H3,(H3,11,14,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -1.12175  SlogP: -0.0145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0442498  Sterimol/B1: 2.25175  Sterimol/B2: 2.47289  Sterimol/B3: 4.36805
  Sterimol/B4: 4.99472  Sterimol/L: 16.2369 
 
 Surface and Volume Properties
  Accessible surface: 455.703  Positive charged surface: 317.086  Negative charged surface: 138.617  Volume: 210.75
  Hydrophobic surface: 249.343  Hydrophilic surface: 206.36
 
 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.