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PUBCHEM-ZINC02018121

 MMsINC code: MMs02853794
Type: Neutral
Formula: C14H22N2O4
SMILES:   O=C1N(C2CCCCC2)C(=O)NC(=O)C1CCC(O)C
InChI:   InChI=1/C14H22N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h9-11,17H,2-8H2,1H3,(H,15,18,20)/t9-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=5.37047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -2.17763  SlogP: 1.1747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758266  Sterimol/B1: 3.35217  Sterimol/B2: 3.40993  Sterimol/B3: 3.44243
  Sterimol/B4: 4.43602  Sterimol/L: 16.0425 
 
 Surface and Volume Properties
  Accessible surface: 505.026  Positive charged surface: 360.406  Negative charged surface: 144.619  Volume: 265.875
  Hydrophobic surface: 326.643  Hydrophilic surface: 178.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.