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NCID-ZINC01643521

 MMsINC code: MMs02284956
Type: Neutral
Formula: C11H20N4O5
SMILES:   O1CCN(CC1)C(=O)NC(NC(=O)C(N)CC(O)=O)C
InChI:   InChI=1/C11H20N4O5/c1-7(13-10(18)8(12)6-9(16)17)14-11(19)15-2-4-20-5-3-15/h7-8H,2-6,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=13.3555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.304 g/mol  logS: 0.26055  SlogP: -1.7076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10166  Sterimol/B1: 2.06254  Sterimol/B2: 3.32118  Sterimol/B3: 4.44791
  Sterimol/B4: 7.3286  Sterimol/L: 15.4925 
 
 Surface and Volume Properties
  Accessible surface: 532.845  Positive charged surface: 403.208  Negative charged surface: 129.637  Volume: 259.75
  Hydrophobic surface: 287.34  Hydrophilic surface: 245.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.