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ENAMINE-ZINC02654306

 MMsINC code: MMs01277666
Type: Neutral
Formula: C19H14Cl2N2O2
SMILES:   Clc1cc(cnc1Cl)C(=O)Nc1ccc(Oc2cc(ccc2)C)cc1
InChI:   InChI=1/C19H14Cl2N2O2/c1-12-3-2-4-16(9-12)25-15-7-5-14(6-8-15)23-19(24)13-10-17(20)18(21)22-11-13/h2-11H,1H3,(H,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.239 g/mol  logS: -6.1332  SlogP: 5.74142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493012  Sterimol/B1: 3.74824  Sterimol/B2: 3.83886  Sterimol/B3: 4.25451
  Sterimol/B4: 4.31852  Sterimol/L: 20.4361 
 
 Surface and Volume Properties
  Accessible surface: 614.563  Positive charged surface: 291.575  Negative charged surface: 322.988  Volume: 328
  Hydrophobic surface: 552.353  Hydrophilic surface: 62.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.