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CHEMDIV-ZINC03908085

 MMsINC code: MMs00919967
Type: Neutral
Formula: C18H20N4O4
SMILES:   o1nc(cc1-c1cc(OC)c(OC)cc1)C(=O)NCCCn1ccnc1
InChI:   InChI=1/C18H20N4O4/c1-24-15-5-4-13(10-17(15)25-2)16-11-14(21-26-16)18(23)20-6-3-8-22-9-7-19-12-22/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=84.1286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.382 g/mol  logS: -3.32056  SlogP: 2.6418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140709  Sterimol/B1: 2.68099  Sterimol/B2: 3.4462  Sterimol/B3: 3.77046
  Sterimol/B4: 7.26834  Sterimol/L: 21.938 
 
 Surface and Volume Properties
  Accessible surface: 665.341  Positive charged surface: 488.991  Negative charged surface: 176.349  Volume: 336.375
  Hydrophobic surface: 525.928  Hydrophilic surface: 139.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.