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NCID-ZINC01601203

 MMsINC code: MMs02254169
Type: Neutral
Formula: C8H18N4O2
SMILES:   O=C(NCCCCNC(=O)NC)NC
InChI:   InChI=1/C8H18N4O2/c1-9-7(13)11-5-3-4-6-12-8(14)10-2/h3-6H2,1-2H3,(H2,9,11,13)(H2,10,12,14)

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Potential Energy
Epot(MMFF94)=-52.19 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.258 g/mol  logS: -0.02166  SlogP: -0.3754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0148499  Sterimol/B1: 2.3752  Sterimol/B2: 2.37549  Sterimol/B3: 3.0865
  Sterimol/B4: 3.27973  Sterimol/L: 17.9628 
 
 Surface and Volume Properties
  Accessible surface: 463.403  Positive charged surface: 401.285  Negative charged surface: 62.1182  Volume: 205.625
  Hydrophobic surface: 309.767  Hydrophilic surface: 153.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.