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NCID-ZINC01760296

 MMsINC code: MMs02366868
Type: Neutral
Formula: C15H29NO4
SMILES:   O(C(=O)C(CCCC)(CCN(C)C)C(OCC)=O)CC
InChI:   InChI=1/C15H29NO4/c1-6-9-10-15(11-12-16(4)5,13(17)19-7-2)14(18)20-8-3/h6-12H2,1-5H3

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Potential Energy
Epot(MMFF94)=30.8313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.4 g/mol  logS: -2.66487  SlogP: 2.2409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160422  Sterimol/B1: 3.27798  Sterimol/B2: 4.1045  Sterimol/B3: 5.73392
  Sterimol/B4: 8.33149  Sterimol/L: 14.1801 
 
 Surface and Volume Properties
  Accessible surface: 588.202  Positive charged surface: 469.984  Negative charged surface: 118.218  Volume: 310.375
  Hydrophobic surface: 483.816  Hydrophilic surface: 104.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02366869
NCID-ZINC01760296