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NCID-ZINC01596688

 MMsINC code: MMs02250646
Type: Neutral
Formula: C13H20N4O2
SMILES:   O=C1N(C)C(=O)N(c2nc([nH]c12)CCCCCC)C
InChI:   InChI=1/C13H20N4O2/c1-4-5-6-7-8-9-14-10-11(15-9)16(2)13(19)17(3)12(10)18/h4-8H2,1-3H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-19.9455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.329 g/mol  logS: -3.04926  SlogP: 2.17427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384638  Sterimol/B1: 2.53518  Sterimol/B2: 3.96788  Sterimol/B3: 4.46932
  Sterimol/B4: 4.96109  Sterimol/L: 17.4731 
 
 Surface and Volume Properties
  Accessible surface: 524.605  Positive charged surface: 424.199  Negative charged surface: 100.407  Volume: 258.875
  Hydrophobic surface: 385.892  Hydrophilic surface: 138.713
 
 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.