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PUBCHEM-ZINC04202757

 MMsINC code: MMs03099017
Type: Ionized
Formula: C10H20NO2+
SMILES:   O(C(=O)C1CC[NH2+]CC1)C(C)(C)C
InChI:   InChI=1/C10H19NO2/c1-10(2,3)13-9(12)8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3/p+1

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Potential Energy
Epot(MMFF94)=13.6049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.275 g/mol  logS: -1.03175  SlogP: 0.3015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115726  Sterimol/B1: 2.21738  Sterimol/B2: 3.32286  Sterimol/B3: 4.2999
  Sterimol/B4: 4.92928  Sterimol/L: 12.0406 
 
 Surface and Volume Properties
  Accessible surface: 415.961  Positive charged surface: 343.658  Negative charged surface: 72.3032  Volume: 205.125
  Hydrophobic surface: 294.444  Hydrophilic surface: 121.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs03099016
PUBCHEM-ZINC04202757