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IBS-ZINC04936570

 MMsINC code: MMs01908170
Type: Neutral
Formula: C6H16NO2P
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)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=33.1411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.173 g/mol  logS: 0.60994  SlogP: 0.0179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162702  Sterimol/B1: 2.97194  Sterimol/B2: 3.55924  Sterimol/B3: 4.19209
  Sterimol/B4: 5.03637  Sterimol/L: 10.1056 
 
 Surface and Volume Properties
  Accessible surface: 350.577  Positive charged surface: 251.537  Negative charged surface: 99.0397  Volume: 166.25
  Hydrophobic surface: 213.244  Hydrophilic surface: 137.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs01908171
IBS-ZINC04936570