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NCID-ZINC01600177

 MMsINC code: MMs02253360
Type: Neutral
Formula: C19H26NO3P
SMILES:   P(OCCN(C)C)(OCC)(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H26NO3P/c1-4-22-24(21,23-16-15-20(2)3)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,4,15-16H2,1-3H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.3691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.395 g/mol  logS: -3.37228  SlogP: 3.6091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159718  Sterimol/B1: 2.20018  Sterimol/B2: 3.89833  Sterimol/B3: 4.20341
  Sterimol/B4: 11.2635  Sterimol/L: 14.9035 
 
 Surface and Volume Properties
  Accessible surface: 633.062  Positive charged surface: 452.132  Negative charged surface: 180.93  Volume: 349.625
  Hydrophobic surface: 593.379  Hydrophilic surface: 39.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02253361
NCID-ZINC01600177