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IBS-ZINC02140007

 MMsINC code: MMs01794728
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)CCCCC(N)(C(O)=O)C
InChI:   InChI=1/C7H16NO5P/c1-7(8,6(9)10)4-2-3-5-14(11,12)13/h2-5,8H2,1H3,(H,9,10)(H2,11,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-19.4207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.45926  SlogP: -0.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100377  Sterimol/B1: 2.08894  Sterimol/B2: 2.73345  Sterimol/B3: 4.10621
  Sterimol/B4: 5.03226  Sterimol/L: 14.2927 
 
 Surface and Volume Properties
  Accessible surface: 430.249  Positive charged surface: 272.496  Negative charged surface: 157.753  Volume: 193.625
  Hydrophobic surface: 145.986  Hydrophilic surface: 284.263
 
 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.