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PUBCHEM-ZINC06634286

 MMsINC code: MMs03831021
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)CCCC(=O)NC1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C15H25NO3/c1-14(2)10-7-8-15(14,3)11(9-10)16-12(17)5-4-6-13(18)19/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t10-,11+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=62.3615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.52764  SlogP: 2.5723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100225  Sterimol/B1: 2.86881  Sterimol/B2: 3.2193  Sterimol/B3: 4.90323
  Sterimol/B4: 4.9297  Sterimol/L: 16.1632 
 
 Surface and Volume Properties
  Accessible surface: 503.357  Positive charged surface: 351.451  Negative charged surface: 151.906  Volume: 273.875
  Hydrophobic surface: 326.168  Hydrophilic surface: 177.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03831022
PUBCHEM-ZINC06634286