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ENAMINE-ZINC03182359

 MMsINC code: MMs01298090
Type: Neutral
Formula: C19H24NO4P
SMILES:   P(OCC)(OCC)(=O)C(\N=C\c1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C19H24NO4P/c1-4-23-25(21,24-5-2)19(17-9-7-6-8-10-17)20-15-16-11-13-18(22-3)14-12-16/h6-15,19H,4-5H2,1-3H3/b20-15+/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.378 g/mol  logS: -3.86003  SlogP: 4.1043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103033  Sterimol/B1: 2.38574  Sterimol/B2: 3.49093  Sterimol/B3: 4.62203
  Sterimol/B4: 11.4957  Sterimol/L: 17.8132 
 
 Surface and Volume Properties
  Accessible surface: 665.593  Positive charged surface: 452.291  Negative charged surface: 213.302  Volume: 355
  Hydrophobic surface: 573.009  Hydrophilic surface: 92.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs01298091
ENAMINE-ZINC03182359