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CHEMDIV-ZINC06936637

 MMsINC code: MMs01064867
Type: Neutral
Formula: C19H26N6O
SMILES:   O=C(NC1CC1)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
InChI:   InChI=1/C19H26N6O/c26-19(22-14-5-6-14)13-7-10-24(11-8-13)17-16-18(21-12-20-17)25-9-3-1-2-4-15(25)23-16/h12-14H,1-11H2,(H,22,26)

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Potential Energy
Epot(MMFF94)=107.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.458 g/mol  logS: -3.25943  SlogP: 2.31407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320373  Sterimol/B1: 2.51563  Sterimol/B2: 2.75122  Sterimol/B3: 3.76634
  Sterimol/B4: 8.60818  Sterimol/L: 18.5869 
 
 Surface and Volume Properties
  Accessible surface: 627.836  Positive charged surface: 503.745  Negative charged surface: 124.091  Volume: 346.125
  Hydrophobic surface: 467.817  Hydrophilic surface: 160.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.