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NCID-ZINC05437510

 MMsINC code: MMs02462077
Type: Neutral
Formula: C16H27Cl2N2O3P
SMILES:   ClCCN(P(OCCCOCc1ccccc1)(=O)N(C)C)CCCl
InChI:   InChI=1/C16H27Cl2N2O3P/c1-19(2)24(21,20(11-9-17)12-10-18)23-14-6-13-22-15-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.9136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.283 g/mol  logS: -2.54543  SlogP: 3.2554  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0630454  Sterimol/B1: 2.35238  Sterimol/B2: 3.72253  Sterimol/B3: 4.19698
  Sterimol/B4: 8.2383  Sterimol/L: 20.3454 
 
 Surface and Volume Properties
  Accessible surface: 682.015  Positive charged surface: 407.855  Negative charged surface: 274.16  Volume: 365.625
  Hydrophobic surface: 494.385  Hydrophilic surface: 187.63
 
 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.