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PUBCHEM-ZINC00641305

 MMsINC code: MMs02718380
Type: Neutral
Formula: C19H18ClNO4
SMILES:   Clc1ccc(cc1)C1(O)N(OC2OCCCC2)C(=O)c2c1cccc2
InChI:   InChI=1/C19H18ClNO4/c20-14-10-8-13(9-11-14)19(23)16-6-2-1-5-15(16)18(22)21(19)25-17-7-3-4-12-24-17/h1-2,5-6,8-11,17,23H,3-4,7,12H2/t17-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=88.6496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.809 g/mol  logS: -4.93511  SlogP: 3.7589  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.132509  Sterimol/B1: 2.36631  Sterimol/B2: 3.59969  Sterimol/B3: 4.03654
  Sterimol/B4: 10.6519  Sterimol/L: 13.8605 
 
 Surface and Volume Properties
  Accessible surface: 580.057  Positive charged surface: 318.031  Negative charged surface: 262.026  Volume: 324
  Hydrophobic surface: 513.936  Hydrophilic surface: 66.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.