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PUBCHEM-ZINC04202771

 MMsINC code: MMs03099034
Type: Ionized
Formula: C7H14NO2+
SMILES:   O(C(=O)C1C[NH2+]CC1C)C
InChI:   InChI=1/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/p+1/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=6.322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.194 g/mol  logS: -0.05012  SlogP: -1.0113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214853  Sterimol/B1: 2.31982  Sterimol/B2: 3.31051  Sterimol/B3: 3.32094
  Sterimol/B4: 6.06609  Sterimol/L: 9.96218 
 
 Surface and Volume Properties
  Accessible surface: 337.779  Positive charged surface: 296.487  Negative charged surface: 41.2912  Volume: 149
  Hydrophobic surface: 235.612  Hydrophilic surface: 102.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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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Parent related molecule:


MMs03099033
PUBCHEM-ZINC04202771