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PUBCHEM-ZINC00874649

 MMsINC code: MMs02740540
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCC(=O)NC1CCCCC1C
InChI:   InChI=1/C11H19NO3/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=3.47123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.1957  SlogP: 1.5461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121657  Sterimol/B1: 2.05255  Sterimol/B2: 3.31669  Sterimol/B3: 3.56627
  Sterimol/B4: 6.83317  Sterimol/L: 13.6436 
 
 Surface and Volume Properties
  Accessible surface: 437.116  Positive charged surface: 311.017  Negative charged surface: 126.098  Volume: 215.375
  Hydrophobic surface: 291.141  Hydrophilic surface: 145.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02740541
PUBCHEM-ZINC00874649