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PUBCHEM-ZINC04202704

 MMsINC code: MMs03098974
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)C1(N)CCCCCCC1)C
InChI:   InChI=1/C10H19NO2/c1-13-9(12)10(11)7-5-3-2-4-6-8-10/h2-8,11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -2.19165  SlogP: 1.6012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167487  Sterimol/B1: 3.00699  Sterimol/B2: 3.69221  Sterimol/B3: 3.81653
  Sterimol/B4: 4.26464  Sterimol/L: 11.8806 
 
 Surface and Volume Properties
  Accessible surface: 388.234  Positive charged surface: 315.381  Negative charged surface: 72.853  Volume: 193.125
  Hydrophobic surface: 325.294  Hydrophilic surface: 62.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.