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AURORAFEINCHEMIE-ZINC02516019

 MMsINC code: MMs00453730
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)CCCCCC(N)C(O)=O
InChI:   InChI=1/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-25.1629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.5847  SlogP: -0.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609831  Sterimol/B1: 2.70839  Sterimol/B2: 2.98584  Sterimol/B3: 3.82992
  Sterimol/B4: 4.10285  Sterimol/L: 14.9059 
 
 Surface and Volume Properties
  Accessible surface: 441.391  Positive charged surface: 283.246  Negative charged surface: 158.145  Volume: 196.375
  Hydrophobic surface: 157.832  Hydrophilic surface: 283.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.