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IBS-ZINC04936570

 MMsINC code: MMs01908171
Type: Ionized
Formula: C6H15NO2P-
SMILES:   P(=O)([O-])(C(NC)C(C)C)C
InChI:   InChI=1/C6H16NO2P/c1-5(2)6(7-3)10(4,8)9/h5-7H,1-4H3,(H,8,9)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=33.8331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.165 g/mol  logS: 0.53842  SlogP: -0.6141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180506  Sterimol/B1: 3.08789  Sterimol/B2: 3.52664  Sterimol/B3: 3.98475
  Sterimol/B4: 5.06222  Sterimol/L: 10.0659 
 
 Surface and Volume Properties
  Accessible surface: 352.604  Positive charged surface: 239.709  Negative charged surface: 112.895  Volume: 165.75
  Hydrophobic surface: 223.4  Hydrophilic surface: 129.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs01908170
IBS-ZINC04936570