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PUBCHEM-ZINC01891030

 MMsINC code: MMs02828799
Type: Neutral
Formula: C16H17ClNO5P
SMILES:   Clc1ccccc1-c1cc(cc(c1)CP(O)(O)=O)CC(N)C(O)=O
InChI:   InChI=1/C16H17ClNO5P/c17-14-4-2-1-3-13(14)12-6-10(8-15(18)16(19)20)5-11(7-12)9-24(21,22)23/h1-7,15H,8-9,18H2,(H,19,20)(H2,21,22,23)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=44.6064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.741 g/mol  logS: -3.57182  SlogP: 1.83527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125074  Sterimol/B1: 2.49972  Sterimol/B2: 2.98461  Sterimol/B3: 5.30342
  Sterimol/B4: 9.57666  Sterimol/L: 14.9925 
 
 Surface and Volume Properties
  Accessible surface: 577.851  Positive charged surface: 286.994  Negative charged surface: 287.244  Volume: 313.5
  Hydrophobic surface: 319.802  Hydrophilic surface: 258.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.