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PUBCHEM-ZINC06762841

 MMsINC code: MMs03856262
Type: Neutral
Formula: C15H29NO3
SMILES:   OC(C(N)CC1CCCCC1)CC(C(C)C)C(O)=O
InChI:   InChI=1/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=54.2105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.401 g/mol  logS: -3.39414  SlogP: 2.3919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857924  Sterimol/B1: 2.26978  Sterimol/B2: 3.45081  Sterimol/B3: 3.67198
  Sterimol/B4: 7.07677  Sterimol/L: 15.3199 
 
 Surface and Volume Properties
  Accessible surface: 518.892  Positive charged surface: 390.165  Negative charged surface: 128.727  Volume: 287
  Hydrophobic surface: 352.267  Hydrophilic surface: 166.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.