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PUBCHEM-ZINC05471593

 MMsINC code: MMs03279224
Type: Neutral
Formula: C9H20NO3P
SMILES:   P(OC(C)C)(=O)(CN(C(=O)C)CC)C
InChI:   InChI=1/C9H20NO3P/c1-6-10(9(4)11)7-14(5,12)13-8(2)3/h8H,6-7H2,1-5H3/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.237 g/mol  logS: -0.11789  SlogP: 1.075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074798  Sterimol/B1: 2.22246  Sterimol/B2: 3.04061  Sterimol/B3: 3.57845
  Sterimol/B4: 5.71527  Sterimol/L: 12.6845 
 
 Surface and Volume Properties
  Accessible surface: 448.706  Positive charged surface: 305.323  Negative charged surface: 143.383  Volume: 223.125
  Hydrophobic surface: 318.315  Hydrophilic surface: 130.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.