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PUBCHEM-ZINC02032956

 MMsINC code: MMs02859683
Type: Neutral
Formula: C14H29NO2
SMILES:   O(C(=O)C(N)CCCC(C)(C)C)CCC(C)C
InChI:   InChI=1/C14H29NO2/c1-11(2)8-10-17-13(16)12(15)7-6-9-14(3,4)5/h11-12H,6-10,15H2,1-5H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=53.8343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.391 g/mol  logS: -4.35457  SlogP: 3.1194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425174  Sterimol/B1: 2.36135  Sterimol/B2: 3.42504  Sterimol/B3: 3.42885
  Sterimol/B4: 6.70873  Sterimol/L: 16.9307 
 
 Surface and Volume Properties
  Accessible surface: 549.538  Positive charged surface: 407.625  Negative charged surface: 141.913  Volume: 279.25
  Hydrophobic surface: 375.026  Hydrophilic surface: 174.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.