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PUBCHEM-ZINC05819708

 MMsINC code: MMs03398811
Type: Neutral
Formula: C14H25NO3
SMILES:   OC(=O)C1CCCN(C1)C(=O)C(CCC)CCC
InChI:   InChI=1/C14H25NO3/c1-3-6-11(7-4-2)13(16)15-9-5-8-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=17.4521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.358 g/mol  logS: -2.4336  SlogP: 2.526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123983  Sterimol/B1: 2.34751  Sterimol/B2: 3.39126  Sterimol/B3: 4.17764
  Sterimol/B4: 8.71475  Sterimol/L: 14.3601 
 
 Surface and Volume Properties
  Accessible surface: 508.291  Positive charged surface: 372.685  Negative charged surface: 135.606  Volume: 265.75
  Hydrophobic surface: 354.36  Hydrophilic surface: 153.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03398812
PUBCHEM-ZINC05819708