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PUBCHEM-ZINC02444588

 MMsINC code: MMs02887835
Type: Neutral
Formula: C18H24N4O2
SMILES:   O1CCn2c(nc3cc(NC(=O)CNC4CCCCC4)ccc23)C1
InChI:   InChI=1/C18H24N4O2/c23-18(11-19-13-4-2-1-3-5-13)20-14-6-7-16-15(10-14)21-17-12-24-9-8-22(16)17/h6-7,10,13,19H,1-5,8-9,11-12H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=70.7903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.416 g/mol  logS: -3.23562  SlogP: 2.9601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284298  Sterimol/B1: 3.01519  Sterimol/B2: 3.3824  Sterimol/B3: 4.19598
  Sterimol/B4: 4.82276  Sterimol/L: 19.7999 
 
 Surface and Volume Properties
  Accessible surface: 602.612  Positive charged surface: 460.642  Negative charged surface: 141.971  Volume: 320.625
  Hydrophobic surface: 488.07  Hydrophilic surface: 114.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02887836
PUBCHEM-ZINC02444588