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PUBCHEM-ZINC06883933

 MMsINC code: MMs03888163
Type: Neutral
Formula: C14H25NO3
SMILES:   OC(=O)C1(CCC(C(=O)NC(C)C)(C)C1(C)C)C
InChI:   InChI=1/C14H25NO3/c1-9(2)15-10(16)13(5)7-8-14(6,11(17)18)12(13,3)4/h9H,7-8H2,1-6H3,(H,15,16)(H,17,18)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=79.1803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.358 g/mol  logS: -2.11446  SlogP: 2.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211284  Sterimol/B1: 2.29421  Sterimol/B2: 3.69354  Sterimol/B3: 3.88441
  Sterimol/B4: 6.00147  Sterimol/L: 12.4397 
 
 Surface and Volume Properties
  Accessible surface: 461.447  Positive charged surface: 302.153  Negative charged surface: 159.294  Volume: 263.5
  Hydrophobic surface: 277.754  Hydrophilic surface: 183.693
 
 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


MMs03888164
PUBCHEM-ZINC06883933