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SIAL-ZINC04776627

 MMsINC code: MMs03925144
Type: Neutral
Formula: C14H10Cl2N2O3
SMILES:   Clc1c(NC(=O)Nc2ccccc2C(O)=O)cccc1Cl
InChI:   InChI=1/C14H10Cl2N2O3/c15-9-5-3-7-11(12(9)16)18-14(21)17-10-6-2-1-4-8(10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)

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Potential Energy
Epot(MMFF94)=68.411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.151 g/mol  logS: -4.69003  SlogP: 4.3356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429585  Sterimol/B1: 3.00629  Sterimol/B2: 3.4127  Sterimol/B3: 3.51347
  Sterimol/B4: 6.32594  Sterimol/L: 15.241 
 
 Surface and Volume Properties
  Accessible surface: 516.198  Positive charged surface: 234.766  Negative charged surface: 281.431  Volume: 264.625
  Hydrophobic surface: 389.106  Hydrophilic surface: 127.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03925145
SIAL-ZINC04776627