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NCID-ZINC05784725

 MMsINC code: MMs02497597
Type: Neutral
Formula: C7H18NO4PS
SMILES:   S(=O)(CCCC)CCC(P(O)(O)=O)N
InChI:   InChI=1/C7H18NO4PS/c1-2-3-5-14(12)6-4-7(8)13(9,10)11/h7H,2-6,8H2,1H3,(H2,9,10,11)/t7-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=0.00742978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.264 g/mol  logS: 0.00027  SlogP: -0.6824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507077  Sterimol/B1: 3.1926  Sterimol/B2: 3.55152  Sterimol/B3: 3.62666
  Sterimol/B4: 3.85512  Sterimol/L: 14.7643 
 
 Surface and Volume Properties
  Accessible surface: 461.329  Positive charged surface: 316.35  Negative charged surface: 144.98  Volume: 214.375
  Hydrophobic surface: 231.509  Hydrophilic surface: 229.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.