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CHEMBLOCK-ZINC00069937

 MMsINC code: MMs00493653
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=C1NC2N(C)C(=O)NC2N1C
InChI:   InChI=1/C6H10N4O2/c1-9-3-4(8-5(9)11)10(2)6(12)7-3/h3-4H,1-2H3,(H,7,12)(H,8,11)/t3-,4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.9913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: 0.53472  SlogP: -1.0514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787916  Sterimol/B1: 2.84271  Sterimol/B2: 3.11991  Sterimol/B3: 3.77135
  Sterimol/B4: 4.55537  Sterimol/L: 10.4342 
 
 Surface and Volume Properties
  Accessible surface: 344.861  Positive charged surface: 270.82  Negative charged surface: 74.0413  Volume: 148
  Hydrophobic surface: 190.275  Hydrophilic surface: 154.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.