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PUBCHEM-ZINC01713735

 MMsINC code: MMs02819154
Type: Neutral
Formula: C16H26NO5P
SMILES:   P(OCC)(OCC)(=O)CCc1c2c(OC(OC2)(C)C)c(nc1)C
InChI:   InChI=1/C16H26NO5P/c1-6-20-23(18,21-7-2)9-8-13-10-17-12(3)15-14(13)11-19-16(4,5)22-15/h10H,6-9,11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.36 g/mol  logS: -2.17622  SlogP: 3.03989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077628  Sterimol/B1: 2.38807  Sterimol/B2: 2.92204  Sterimol/B3: 4.5782
  Sterimol/B4: 7.77231  Sterimol/L: 15.6235 
 
 Surface and Volume Properties
  Accessible surface: 625.136  Positive charged surface: 443.481  Negative charged surface: 181.656  Volume: 327.125
  Hydrophobic surface: 474.027  Hydrophilic surface: 151.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.