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IBS-ZINC02255108

 MMsINC code: MMs01816180
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)NC(C)C
InChI:   InChI=1/C9H22NO3P/c1-7(2)10-14(11,12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-28.046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -1.27193  SlogP: 1.8723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189804  Sterimol/B1: 2.07162  Sterimol/B2: 3.50715  Sterimol/B3: 4.05301
  Sterimol/B4: 8.84276  Sterimol/L: 11.4219 
 
 Surface and Volume Properties
  Accessible surface: 457.706  Positive charged surface: 308.637  Negative charged surface: 149.069  Volume: 231.125
  Hydrophobic surface: 292.77  Hydrophilic surface: 164.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.