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CHEMBRIDGE-ZINC02835859

 MMsINC code: MMs00722758
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)CCC(=O)NCCCCCC
InChI:   InChI=1/C10H19NO3/c1-2-3-4-5-8-11-9(12)6-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=-10.1818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.59743  SlogP: 1.5477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201469  Sterimol/B1: 2.37502  Sterimol/B2: 2.37581  Sterimol/B3: 2.86584
  Sterimol/B4: 3.79699  Sterimol/L: 18.0558 
 
 Surface and Volume Properties
  Accessible surface: 469.725  Positive charged surface: 352.582  Negative charged surface: 117.142  Volume: 210.25
  Hydrophobic surface: 298.4  Hydrophilic surface: 171.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00722759
CHEMBRIDGE-ZINC02835859