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PUBCHEM-ZINC03592437

 MMsINC code: MMs03018110
Type: Neutral
Formula: C14H24N2O4
SMILES:   O(C(=O)C1N(CCC1)CCN1CCCC1C(OC)=O)C
InChI:   InChI=1/C14H24N2O4/c1-19-13(17)11-5-3-7-15(11)9-10-16-8-4-6-12(16)14(18)20-2/h11-12H,3-10H2,1-2H3/t11-,12+

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Potential Energy
Epot(MMFF94)=74.3281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -1.30742  SlogP: 0.2612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455515  Sterimol/B1: 2.81475  Sterimol/B2: 3.11095  Sterimol/B3: 3.23855
  Sterimol/B4: 7.47073  Sterimol/L: 15.9562 
 
 Surface and Volume Properties
  Accessible surface: 552.984  Positive charged surface: 464.965  Negative charged surface: 88.0196  Volume: 285.125
  Hydrophobic surface: 490.52  Hydrophilic surface: 62.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03018111
PUBCHEM-ZINC03592437