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NCID-ZINC01606514

 MMsINC code: MMs02258476
Type: Neutral
Formula: C10H24NO2PS
SMILES:   S=P(OC(CC)C)(OC(CC)C)NCC
InChI:   InChI=1/C10H24NO2PS/c1-6-9(4)12-14(15,11-8-3)13-10(5)7-2/h9-10H,6-8H2,1-5H3,(H,11,15)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.88091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.347 g/mol  logS: -2.60154  SlogP: 3.4506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247994  Sterimol/B1: 3.04362  Sterimol/B2: 5.37925  Sterimol/B3: 5.38539
  Sterimol/B4: 5.51949  Sterimol/L: 11.9739 
 
 Surface and Volume Properties
  Accessible surface: 482.24  Positive charged surface: 340.715  Negative charged surface: 141.526  Volume: 259.5
  Hydrophobic surface: 335.476  Hydrophilic surface: 146.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.