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NCID-ZINC01606515

 MMsINC code: MMs02258477
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.65323 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: 0.269882  Sterimol/B1: 2.50684  Sterimol/B2: 3.30342  Sterimol/B3: 5.30814
  Sterimol/B4: 8.78967  Sterimol/L: 11.8748 
 
 Surface and Volume Properties
  Accessible surface: 484.177  Positive charged surface: 336.915  Negative charged surface: 147.262  Volume: 259.125
  Hydrophobic surface: 336.324  Hydrophilic surface: 147.853
 
 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.