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PUBCHEM-ZINC06883957

 MMsINC code: MMs03888189
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+/m1/s1

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Potential Energy
Epot(MMFF94)=86.6611 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: 0.242685  Sterimol/B1: 3.39783  Sterimol/B2: 4.2156  Sterimol/B3: 4.34815
  Sterimol/B4: 5.52878  Sterimol/L: 12.4708 
 
 Surface and Volume Properties
  Accessible surface: 448.01  Positive charged surface: 299.847  Negative charged surface: 148.163  Volume: 261.5
  Hydrophobic surface: 273.59  Hydrophilic surface: 174.42
 
 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


MMs03888190
PUBCHEM-ZINC06883957