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PUBCHEM-ZINC02611579

 MMsINC code: MMs02907037
Type: Neutral
Formula: C13H20N4O5
SMILES:   O1CCN(CC1)CC(=O)NC=1N(CCOC)C(=O)NC(=O)C=1
InChI:   InChI=1/C13H20N4O5/c1-21-5-4-17-10(8-11(18)15-13(17)20)14-12(19)9-16-2-6-22-7-3-16/h8H,2-7,9H2,1H3,(H,14,19)(H,15,18,20)

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Potential Energy
Epot(MMFF94)=64.4836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.326 g/mol  logS: -1.1664  SlogP: -1.5256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710671  Sterimol/B1: 2.51072  Sterimol/B2: 2.72914  Sterimol/B3: 4.18925
  Sterimol/B4: 8.31455  Sterimol/L: 15.2758 
 
 Surface and Volume Properties
  Accessible surface: 553.128  Positive charged surface: 441.16  Negative charged surface: 111.968  Volume: 279.75
  Hydrophobic surface: 385.6  Hydrophilic surface: 167.528
 
 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


MMs02907038
PUBCHEM-ZINC02611579