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NCID-ZINC01623096

 MMsINC code: MMs02270571
Type: Neutral
Formula: C13H26NO5P
SMILES:   P(OCCCC)(OCCCC)(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C13H26NO5P/c1-3-5-10-18-20(17,19-11-6-4-2)14-9-7-8-12(14)13(15)16/h12H,3-11H2,1-2H3,(H,15,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=0.145938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.327 g/mol  logS: -2.02087  SlogP: 2.2067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592152  Sterimol/B1: 3.24242  Sterimol/B2: 3.48222  Sterimol/B3: 4.14578
  Sterimol/B4: 7.62623  Sterimol/L: 17.0498 
 
 Surface and Volume Properties
  Accessible surface: 570.617  Positive charged surface: 409.499  Negative charged surface: 161.118  Volume: 296.375
  Hydrophobic surface: 408.785  Hydrophilic surface: 161.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02270572
NCID-ZINC01623096