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NCID-ZINC01606519

 MMsINC code: MMs02258480
Type: Neutral
Formula: C11H22NO4PS
SMILES:   S=P(OCC)(OCC)N1CCCC1C(OCC)=O
InChI:   InChI=1/C11H22NO4PS/c1-4-14-11(13)10-8-7-9-12(10)17(18,15-5-2)16-6-3/h10H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=6.32727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.34 g/mol  logS: -2.57971  SlogP: 2.3114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24321  Sterimol/B1: 2.7904  Sterimol/B2: 5.12874  Sterimol/B3: 6.15199
  Sterimol/B4: 6.25033  Sterimol/L: 14.0944 
 
 Surface and Volume Properties
  Accessible surface: 543.856  Positive charged surface: 382.612  Negative charged surface: 161.244  Volume: 276.5
  Hydrophobic surface: 402.562  Hydrophilic surface: 141.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.