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ASINEX-ZINC04852627

 MMsINC code: MMs00382577
Type: Neutral
Formula: C19H23ClN2O3
SMILES:   Clc1ccccc1OCC(=O)NNC(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H23ClN2O3/c20-15-3-1-2-4-16(15)25-11-17(23)21-22-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24)/t12-,13+,14-,19-

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Potential Energy
Epot(MMFF94)=97.2221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.857 g/mol  logS: -6.02448  SlogP: 3.0826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397316  Sterimol/B1: 2.74354  Sterimol/B2: 3.62354  Sterimol/B3: 3.62569
  Sterimol/B4: 6.36111  Sterimol/L: 18.8358 
 
 Surface and Volume Properties
  Accessible surface: 610.233  Positive charged surface: 375.543  Negative charged surface: 234.69  Volume: 332.5
  Hydrophobic surface: 514.943  Hydrophilic surface: 95.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.