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CHEMBRIDGE-ZINC04649222

 MMsINC code: MMs00774287
Type: Neutral
Formula: C16H14ClNO3
SMILES:   Clc1cc(NC(=O)c2cc(C)c(cc2)C)c(cc1)C(O)=O
InChI:   InChI=1/C16H14ClNO3/c1-9-3-4-11(7-10(9)2)15(19)18-14-8-12(17)5-6-13(14)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.745 g/mol  logS: -5.0064  SlogP: 3.90734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219409  Sterimol/B1: 2.49745  Sterimol/B2: 3.03936  Sterimol/B3: 4.12357
  Sterimol/B4: 6.73914  Sterimol/L: 15.0188 
 
 Surface and Volume Properties
  Accessible surface: 526.792  Positive charged surface: 263.027  Negative charged surface: 263.765  Volume: 273.75
  Hydrophobic surface: 411.445  Hydrophilic surface: 115.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00774288
CHEMBRIDGE-ZINC04649222