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ASINEX-ZINC04888853

 MMsINC code: MMs00395286
Type: Neutral
Formula: C13H24N4O2
SMILES:   O=C1N(C2N(C(C)(C)C)C(=O)N(C2N1CC)C)CC
InChI:   InChI=1/C13H24N4O2/c1-7-15-9-10(16(8-2)12(15)19)17(13(3,4)5)11(18)14(9)6/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=94.1213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.361 g/mol  logS: -0.88935  SlogP: 1.5819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142617  Sterimol/B1: 2.92986  Sterimol/B2: 4.11947  Sterimol/B3: 4.73932
  Sterimol/B4: 5.86842  Sterimol/L: 12.4604 
 
 Surface and Volume Properties
  Accessible surface: 477.087  Positive charged surface: 354.097  Negative charged surface: 122.991  Volume: 269
  Hydrophobic surface: 339.432  Hydrophilic surface: 137.655
 
 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.