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NCID-ZINC01669008

 MMsINC code: MMs02305138
Type: Neutral
Formula: C14H25NO3
SMILES:   O(C(=O)C(O)C1CCCCC1)C1CCN(CC1)C
InChI:   InChI=1/C14H25NO3/c1-15-9-7-12(8-10-15)18-14(17)13(16)11-5-3-2-4-6-11/h11-13,16H,2-10H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=36.0367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.358 g/mol  logS: -2.42081  SlogP: 1.565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887642  Sterimol/B1: 3.20798  Sterimol/B2: 3.29918  Sterimol/B3: 4.16871
  Sterimol/B4: 5.73951  Sterimol/L: 14.9159 
 
 Surface and Volume Properties
  Accessible surface: 497.375  Positive charged surface: 412.667  Negative charged surface: 84.7085  Volume: 262.875
  Hydrophobic surface: 425.982  Hydrophilic surface: 71.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02305139
NCID-ZINC01669008