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CHEMBRIDGE-ZINC02941308

 MMsINC code: MMs00742790
Type: Neutral
Formula: C22H19ClN2O3
SMILES:   Clc1ccc(cc1NC(=O)NC(c1ccccc1)c1ccccc1)C(OC)=O
InChI:   InChI=1/C22H19ClN2O3/c1-28-21(26)17-12-13-18(23)19(14-17)24-22(27)25-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H2,24,25,27)

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Potential Energy
Epot(MMFF94)=79.8607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.858 g/mol  logS: -6.08001  SlogP: 5.1332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949801  Sterimol/B1: 3.43173  Sterimol/B2: 4.40675  Sterimol/B3: 5.66678
  Sterimol/B4: 8.24318  Sterimol/L: 18.0278 
 
 Surface and Volume Properties
  Accessible surface: 669.719  Positive charged surface: 376.028  Negative charged surface: 293.691  Volume: 371.125
  Hydrophobic surface: 589.692  Hydrophilic surface: 80.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.