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CHEMDIV-ZINC00191340

MMsINC code: MMs00837406

Type: Neutral
Formula: C16H13Cl2NO3
SMILES:   Clc1cc(C(=O)Nc2cc(C)c(cc2)C)c(cc1Cl)C(O)=O
InChI:   InChI=1/C16H13Cl2NO3/c1-8-3-4-10(5-9(8)2)19-15(20)11-6-13(17)14(18)7-12(11)16(21)22/h3-7H,1-2H3,(H,19,20)(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=86.0123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.19 g/mol  logS: -5.74069  SlogP: 4.56074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935472  Sterimol/B1: 3.26664  Sterimol/B2: 4.6136  Sterimol/B3: 4.80523
  Sterimol/B4: 5.8536  Sterimol/L: 16.3707 
 
 Surface and Volume Properties
  Accessible surface: 554.139  Positive charged surface: 257.019  Negative charged surface: 297.12  Volume: 290.25
  Hydrophobic surface: 441.557  Hydrophilic surface: 112.582
 
 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


MMs00837407
CHEMDIV-ZINC00191340