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PUBCHEM-ZINC03082267

 MMsINC code: MMs02991268
Type: Neutral
Formula: C17H24N4O6
SMILES:   O=C1N(C)C(=O)N(CCO)C(C)=C1CC=1C(=O)N(C)C(=O)N(CCO)C=1C
InChI:   InChI=1/C17H24N4O6/c1-10-12(14(24)18(3)16(26)20(10)5-7-22)9-13-11(2)21(6-8-23)17(27)19(4)15(13)25/h22-23H,5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=53.5202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.401 g/mol  logS: -0.91994  SlogP: -0.3029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977405  Sterimol/B1: 2.75266  Sterimol/B2: 3.73807  Sterimol/B3: 4.5166
  Sterimol/B4: 7.49301  Sterimol/L: 15.8932 
 
 Surface and Volume Properties
  Accessible surface: 584.351  Positive charged surface: 473.602  Negative charged surface: 110.749  Volume: 340.5
  Hydrophobic surface: 411.765  Hydrophilic surface: 172.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.