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PUBCHEM-ZINC05819710

 MMsINC code: MMs03398814
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-/m1/s1

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Potential Energy
Epot(MMFF94)=16.8598 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: 0.107194  Sterimol/B1: 2.09115  Sterimol/B2: 2.55393  Sterimol/B3: 4.33834
  Sterimol/B4: 9.01766  Sterimol/L: 13.9091 
 
 Surface and Volume Properties
  Accessible surface: 511.33  Positive charged surface: 372.937  Negative charged surface: 138.393  Volume: 267.5
  Hydrophobic surface: 356.668  Hydrophilic surface: 154.662
 
 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


MMs03398815
PUBCHEM-ZINC05819710