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PUBCHEM-ZINC04202769

 MMsINC code: MMs03099030
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)=7.72423 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: 0.112495  Sterimol/B1: 2.14425  Sterimol/B2: 2.77135  Sterimol/B3: 3.06425
  Sterimol/B4: 5.70398  Sterimol/L: 10.467 
 
 Surface and Volume Properties
  Accessible surface: 346.646  Positive charged surface: 300.507  Negative charged surface: 46.1381  Volume: 148.875
  Hydrophobic surface: 236.955  Hydrophilic surface: 109.691
 
 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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MMs03099029
PUBCHEM-ZINC04202769