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PUBCHEM-ZINC02019842

 MMsINC code: MMs02855440
Type: Neutral
Formula: C10H20NO3+
SMILES:   O(C(=O)C(=O)CC)CCC[N+](C)(C)C
InChI:   InChI=1/C10H20NO3/c1-5-9(12)10(13)14-8-6-7-11(2,3)4/h5-8H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.6859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.274 g/mol  logS: -0.50847  SlogP: 0.605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511455  Sterimol/B1: 2.60545  Sterimol/B2: 3.57438  Sterimol/B3: 3.57457
  Sterimol/B4: 4.10478  Sterimol/L: 15.8145 
 
 Surface and Volume Properties
  Accessible surface: 453.016  Positive charged surface: 369.195  Negative charged surface: 83.8211  Volume: 211
  Hydrophobic surface: 299.771  Hydrophilic surface: 153.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.