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CHEMDIV-ZINC04920619

 MMsINC code: MMs00967607
Type: Neutral
Formula: C18H14Cl2N2O3
SMILES:   Clc1cc(ccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(O)=O)C
InChI:   InChI=1/C18H14Cl2N2O3/c1-9-2-4-15(13(20)6-9)21-16(23)8-12-11-7-10(19)3-5-14(11)22-17(12)18(24)25/h2-7,22H,8H2,1H3,(H,21,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.227 g/mol  logS: -5.77106  SlogP: 4.66249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118329  Sterimol/B1: 2.55133  Sterimol/B2: 6.15415  Sterimol/B3: 6.39852
  Sterimol/B4: 6.56956  Sterimol/L: 15.4755 
 
 Surface and Volume Properties
  Accessible surface: 600.875  Positive charged surface: 280.722  Negative charged surface: 317.064  Volume: 322.625
  Hydrophobic surface: 462.991  Hydrophilic surface: 137.884
 
 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


MMs00967608
CHEMDIV-ZINC04920619