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PUBCHEM-ZINC05772956

 MMsINC code: MMs03382124
Type: Neutral
Formula: C21H17ClN2O3
SMILES:   Clc1cc(Nc2ccccc2C(O)=O)c(NC(=O)Cc2ccccc2)cc1
InChI:   InChI=1/C21H17ClN2O3/c22-15-10-11-18(24-20(25)12-14-6-2-1-3-7-14)19(13-15)23-17-9-5-4-8-16(17)21(26)27/h1-11,13,23H,12H2,(H,24,25)(H,26,27)

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Potential Energy
Epot(MMFF94)=127.321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.831 g/mol  logS: -5.74035  SlogP: 4.96297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104125  Sterimol/B1: 3.25594  Sterimol/B2: 4.29366  Sterimol/B3: 4.67307
  Sterimol/B4: 6.60733  Sterimol/L: 18.0626 
 
 Surface and Volume Properties
  Accessible surface: 634.268  Positive charged surface: 340.664  Negative charged surface: 293.604  Volume: 345.875
  Hydrophobic surface: 521.997  Hydrophilic surface: 112.271
 
 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


MMs03382125
PUBCHEM-ZINC05772956