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ASINEX-ZINC00320049

MMsINC code: MMs00118102

Type: Neutral
Formula: C16H15ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)NNC(=O)COc1ccc(cc1)C
InChI:   InChI=1/C16H15ClN2O3/c1-11-2-8-14(9-3-11)22-10-15(20)18-19-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=89.5455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.76 g/mol  logS: -4.86843  SlogP: 2.48842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00306052  Sterimol/B1: 2.37671  Sterimol/B2: 2.51228  Sterimol/B3: 3.49454
  Sterimol/B4: 4.48437  Sterimol/L: 20.8991 
 
 Surface and Volume Properties
  Accessible surface: 586.113  Positive charged surface: 289.941  Negative charged surface: 296.172  Volume: 290.125
  Hydrophobic surface: 468.311  Hydrophilic surface: 117.802
 
 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.