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ASINEX-ZINC02475896

 MMsINC code: MMs00272464
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+

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Potential Energy
Epot(MMFF94)=41.1025 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: 0.131616  Sterimol/B1: 2.67293  Sterimol/B2: 3.32482  Sterimol/B3: 5.6117
  Sterimol/B4: 6.26408  Sterimol/L: 15.9324 
 
 Surface and Volume Properties
  Accessible surface: 548.399  Positive charged surface: 431.834  Negative charged surface: 116.565  Volume: 292.5
  Hydrophobic surface: 428.161  Hydrophilic surface: 120.238
 
 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.