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CHEMDIV-ZINC00096926

 MMsINC code: MMs00832469
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1N(C2N(CC)C(=O)N(C2N1C)C)CC
InChI:   InChI=1/C10H18N4O2/c1-5-13-8-7(11(3)9(13)15)12(4)10(16)14(8)6-2/h7-8H,5-6H2,1-4H3/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.91196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: 0.09228  SlogP: 0.4132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134125  Sterimol/B1: 2.38468  Sterimol/B2: 2.9031  Sterimol/B3: 3.53938
  Sterimol/B4: 7.53671  Sterimol/L: 10.206 
 
 Surface and Volume Properties
  Accessible surface: 428.435  Positive charged surface: 336.358  Negative charged surface: 92.0773  Volume: 222.625
  Hydrophobic surface: 314.99  Hydrophilic surface: 113.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.