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PUBCHEM-ZINC05897374

 MMsINC code: MMs03434260
Type: Neutral
Formula: C15H23NO3
SMILES:   OC(=O)C1CC=CCC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C15H23NO3/c17-14(16-11-7-3-1-2-4-8-11)12-9-5-6-10-13(12)15(18)19/h5-6,11-13H,1-4,7-10H2,(H,16,17)(H,18,19)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=32.6901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -1.67677  SlogP: 2.4924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165529  Sterimol/B1: 2.82111  Sterimol/B2: 4.31007  Sterimol/B3: 5.03835
  Sterimol/B4: 5.06177  Sterimol/L: 12.4612 
 
 Surface and Volume Properties
  Accessible surface: 485.133  Positive charged surface: 358.698  Negative charged surface: 126.435  Volume: 264.25
  Hydrophobic surface: 364.129  Hydrophilic surface: 121.004
 
 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


MMs03434261
PUBCHEM-ZINC05897374