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INDOFINE-ZINC00058052

MMsINC code: MMs02091418

Type: Neutral
Formula: C16H10Cl2O2
SMILES:   Clc1cc(Cl)ccc1C=1C(Oc2c(cccc2)C=1C)=O
InChI:   InChI=1/C16H10Cl2O2/c1-9-11-4-2-3-5-14(11)20-16(19)15(9)12-7-6-10(17)8-13(12)18/h2-8H,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=84.8604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.16 g/mol  logS: -6.34747  SlogP: 4.8431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807624  Sterimol/B1: 2.14101  Sterimol/B2: 2.66062  Sterimol/B3: 5.05079
  Sterimol/B4: 6.16184  Sterimol/L: 15.5212 
 
 Surface and Volume Properties
  Accessible surface: 484.727  Positive charged surface: 189.28  Negative charged surface: 295.447  Volume: 261.375
  Hydrophobic surface: 432.474  Hydrophilic surface: 52.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.