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ACROSORGANICS-ZINC02516909

 MMsINC code: MMs00013880
Type: Neutral
Formula: C10H22NO5P
SMILES:   P(OCC)(OCC)(=O)CCCCC(N)C(O)=O
InChI:   InChI=1/C10H22NO5P/c1-3-15-17(14,16-4-2)8-6-5-7-9(11)10(12)13/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=19.6642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.262 g/mol  logS: -0.55831  SlogP: 0.7645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620656  Sterimol/B1: 2.11003  Sterimol/B2: 3.2666  Sterimol/B3: 4.11349
  Sterimol/B4: 7.96556  Sterimol/L: 16.1167 
 
 Surface and Volume Properties
  Accessible surface: 542.591  Positive charged surface: 390.338  Negative charged surface: 152.253  Volume: 254.625
  Hydrophobic surface: 317.516  Hydrophilic surface: 225.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: no related molecules available.