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ENAMINE-ZINC01863368

 MMsINC code: MMs01245115
Type: Neutral
Formula: C18H15ClNO3P
SMILES:   Clc1ccccc1NP(Oc1ccccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C18H15ClNO3P/c19-17-13-7-8-14-18(17)20-24(21,22-15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14H,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.749 g/mol  logS: -5.27098  SlogP: 4.9478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129895  Sterimol/B1: 3.4539  Sterimol/B2: 4.26114  Sterimol/B3: 4.7521
  Sterimol/B4: 8.71772  Sterimol/L: 14.4142 
 
 Surface and Volume Properties
  Accessible surface: 573.411  Positive charged surface: 269.276  Negative charged surface: 304.136  Volume: 321
  Hydrophobic surface: 533.906  Hydrophilic surface: 39.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.