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CHEMBRIDGE-ZINC01165275

 MMsINC code: MMs00677544
Type: Neutral
Formula: C10H20N4O2
SMILES:   O=C(NCC)N1CCN(CC1)C(=O)NCC
InChI:   InChI=1/C10H20N4O2/c1-3-11-9(15)13-5-7-14(8-6-13)10(16)12-4-2/h3-8H2,1-2H3,(H,11,15)(H,12,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.36465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.296 g/mol  logS: -0.2094  SlogP: 0.063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351003  Sterimol/B1: 2.86392  Sterimol/B2: 3.32508  Sterimol/B3: 3.39716
  Sterimol/B4: 4.41558  Sterimol/L: 16.6475 
 
 Surface and Volume Properties
  Accessible surface: 474.987  Positive charged surface: 380.811  Negative charged surface: 94.1755  Volume: 227
  Hydrophobic surface: 349.433  Hydrophilic surface: 125.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.