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NCID-ZINC01656878

 MMsINC code: MMs02295137
Type: Neutral
Formula: C12H24N4O2
SMILES:   O=CNCCCN1CCN(CC1)CCCNC=O
InChI:   InChI=1/C12H24N4O2/c17-11-13-3-1-5-15-7-9-16(10-8-15)6-2-4-14-12-18/h11-12H,1-10H2,(H,13,17)(H,14,18)

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Potential Energy
Epot(MMFF94)=31.5632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.35 g/mol  logS: -0.0764  SlogP: -1.1238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322625  Sterimol/B1: 2.36741  Sterimol/B2: 2.62793  Sterimol/B3: 3.22741
  Sterimol/B4: 5.9125  Sterimol/L: 18.7273 
 
 Surface and Volume Properties
  Accessible surface: 532.162  Positive charged surface: 456.887  Negative charged surface: 75.2749  Volume: 260.625
  Hydrophobic surface: 350.237  Hydrophilic surface: 181.925
 
 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


MMs02295138
NCID-ZINC01656878