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NCID-ZINC05385088

 MMsINC code: MMs02457061
Type: Neutral
Formula: C16H28N4O4
SMILES:   OC1CCCN(C1)CC1NC(=O)C(NC1=O)CN1CC(O)CCC1
InChI:   InChI=1/C16H28N4O4/c21-11-3-1-5-19(7-11)9-13-15(23)18-14(16(24)17-13)10-20-6-2-4-12(22)8-20/h11-14,21-22H,1-10H2,(H,17,24)(H,18,23)/t11-,12+,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=107.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -0.57998  SlogP: -2.117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756293  Sterimol/B1: 3.22123  Sterimol/B2: 4.17651  Sterimol/B3: 4.47301
  Sterimol/B4: 5.50422  Sterimol/L: 16.6895 
 
 Surface and Volume Properties
  Accessible surface: 578.728  Positive charged surface: 442.341  Negative charged surface: 136.387  Volume: 321.625
  Hydrophobic surface: 363.304  Hydrophilic surface: 215.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02457062
NCID-ZINC05385088