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ASINEX-ZINC02520834

 MMsINC code: MMs00274292
Type: Neutral
Formula: C13H20N4O3
SMILES:   O(CCC)c1nc2N(C)C(=O)N(C)C(=O)c2n1CCC
InChI:   InChI=1/C13H20N4O3/c1-5-7-17-9-10(14-12(17)20-8-6-2)15(3)13(19)16(4)11(9)18/h5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-21.8838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.328 g/mol  logS: -2.39841  SlogP: 1.9901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449873  Sterimol/B1: 2.02386  Sterimol/B2: 2.55341  Sterimol/B3: 3.12753
  Sterimol/B4: 10.2007  Sterimol/L: 15.1491 
 
 Surface and Volume Properties
  Accessible surface: 539.067  Positive charged surface: 431.681  Negative charged surface: 107.386  Volume: 269.625
  Hydrophobic surface: 402.155  Hydrophilic surface: 136.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.