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PUBCHEM-ZINC06891889

 MMsINC code: MMs03892767
Type: Neutral
Formula: C17H27N2O5P
SMILES:   P(OCC)(=O)(NC(Cc1ccccc1)C(OCC)=O)C(=O)NC(C)C
InChI:   InChI=1/C17H27N2O5P/c1-5-23-16(20)15(12-14-10-8-7-9-11-14)19-25(22,24-6-2)17(21)18-13(3)4/h7-11,13,15H,5-6,12H2,1-4H3,(H,18,21)(H,19,22)/t15-,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.386 g/mol  logS: -2.82902  SlogP: 2.02777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125995  Sterimol/B1: 2.4796  Sterimol/B2: 3.5228  Sterimol/B3: 4.13895
  Sterimol/B4: 10.7359  Sterimol/L: 15.812 
 
 Surface and Volume Properties
  Accessible surface: 664.997  Positive charged surface: 439.84  Negative charged surface: 225.157  Volume: 358.375
  Hydrophobic surface: 501.117  Hydrophilic surface: 163.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.