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NCID-ZINC01719957

 MMsINC code: MMs02344963
Type: Neutral
Formula: C10H24NO3PS
SMILES:   S=P(OCCN(CC)CC)(OCC)OCC
InChI:   InChI=1/C10H24NO3PS/c1-5-11(6-2)9-10-14-15(16,12-7-3)13-8-4/h5-10H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.6984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.346 g/mol  logS: -2.32595  SlogP: 2.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134722  Sterimol/B1: 3.96638  Sterimol/B2: 4.33057  Sterimol/B3: 4.34324
  Sterimol/B4: 6.30927  Sterimol/L: 13.662 
 
 Surface and Volume Properties
  Accessible surface: 543.047  Positive charged surface: 387.207  Negative charged surface: 155.84  Volume: 265.625
  Hydrophobic surface: 382.886  Hydrophilic surface: 160.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02344964
NCID-ZINC01719957