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IBS-ZINC02333578

 MMsINC code: MMs01835176
Type: Neutral
Formula: C11H27NO3P2S
SMILES:   S=P(N(CC)CP(OCC)(OCC)=O)(CC)CC
InChI:   InChI=1/C11H27NO3P2S/c1-6-12(16(18,9-4)10-5)11-17(13,14-7-2)15-8-3/h6-11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.355 g/mol  logS: -1.4908  SlogP: 2.896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278286  Sterimol/B1: 2.56782  Sterimol/B2: 3.68947  Sterimol/B3: 6.17165
  Sterimol/B4: 7.3653  Sterimol/L: 13.8928 
 
 Surface and Volume Properties
  Accessible surface: 554.647  Positive charged surface: 372.512  Negative charged surface: 182.135  Volume: 305.25
  Hydrophobic surface: 381.907  Hydrophilic surface: 172.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.