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PUBCHEM-ZINC05453480

 MMsINC code: MMs03273559
Type: Neutral
Formula: C16H32N2O4
SMILES:   O(C(=O)CCC(OCCN(CC)CC)=O)CCN(CC)CC
InChI:   InChI=1/C16H32N2O4/c1-5-17(6-2)11-13-21-15(19)9-10-16(20)22-14-12-18(7-3)8-4/h5-14H2,1-4H3

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Potential Energy
Epot(MMFF94)=51.8199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.442 g/mol  logS: -1.27534  SlogP: 1.5366  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0609246  Sterimol/B1: 2.54931  Sterimol/B2: 3.92646  Sterimol/B3: 5.00032
  Sterimol/B4: 6.09242  Sterimol/L: 18.6369 
 
 Surface and Volume Properties
  Accessible surface: 665.758  Positive charged surface: 518.719  Negative charged surface: 147.038  Volume: 337.125
  Hydrophobic surface: 507.536  Hydrophilic surface: 158.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03273560
PUBCHEM-ZINC05453480