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ASINEX-ZINC02475899

 MMsINC code: MMs00272466
Type: Neutral
Formula: C14H26N4O2
SMILES:   O=C1N(C2N(C)C(=O)N(C2N1C)CCCC)CCCC
InChI:   InChI=1/C14H26N4O2/c1-5-7-9-17-11-12(16(4)13(17)19)18(10-8-6-2)14(20)15(11)3/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=2.00673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.388 g/mol  logS: -1.3417  SlogP: 1.9736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070974  Sterimol/B1: 2.38867  Sterimol/B2: 4.62206  Sterimol/B3: 5.01909
  Sterimol/B4: 5.10058  Sterimol/L: 17.5398 
 
 Surface and Volume Properties
  Accessible surface: 554.222  Positive charged surface: 442.187  Negative charged surface: 112.035  Volume: 292.25
  Hydrophobic surface: 437.046  Hydrophilic surface: 117.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.