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PUBCHEM-ZINC01346720

 MMsINC code: MMs02798285
Type: Neutral
Formula: C14H24N2O3
SMILES:   OC(=O)C1(NC(=O)NC2CCCCC2)CCCCC1
InChI:   InChI=1/C14H24N2O3/c17-12(18)14(9-5-2-6-10-14)16-13(19)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)

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Potential Energy
Epot(MMFF94)=23.0998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -2.54245  SlogP: 2.4058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0884612  Sterimol/B1: 3.34652  Sterimol/B2: 3.79798  Sterimol/B3: 3.98947
  Sterimol/B4: 5.09278  Sterimol/L: 14.213 
 
 Surface and Volume Properties
  Accessible surface: 491.019  Positive charged surface: 380.794  Negative charged surface: 110.225  Volume: 264.625
  Hydrophobic surface: 385.628  Hydrophilic surface: 105.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs02798286
PUBCHEM-ZINC01346720