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IBS-ZINC04898863

 MMsINC code: MMs01906102
Type: Neutral
Formula: C14H9ClN2O3
SMILES:   Clc1cc2N(C(=O)Nc3ccccc3)C(Oc2cc1)=O
InChI:   InChI=1/C14H9ClN2O3/c15-9-6-7-12-11(8-9)17(14(19)20-12)13(18)16-10-4-2-1-3-5-10/h1-8H,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.69 g/mol  logS: -4.84305  SlogP: 3.8909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167256  Sterimol/B1: 2.6632  Sterimol/B2: 2.70334  Sterimol/B3: 4.44365
  Sterimol/B4: 5.48733  Sterimol/L: 14.9784 
 
 Surface and Volume Properties
  Accessible surface: 474.673  Positive charged surface: 216.535  Negative charged surface: 258.138  Volume: 242.625
  Hydrophobic surface: 380.149  Hydrophilic surface: 94.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.