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IBS-ZINC00854704

 MMsINC code: MMs01758210
Type: Neutral
Formula: C19H16Cl2N2O3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ccccc1OC
InChI:   InChI=1/C19H16Cl2N2O3/c1-11-16(18(23-26-11)17-13(20)7-5-8-14(17)21)19(24)22-10-12-6-3-4-9-15(12)25-2/h3-9H,10H2,1-2H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.8835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.254 g/mol  logS: -6.17279  SlogP: 5.16182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134789  Sterimol/B1: 2.48054  Sterimol/B2: 4.40048  Sterimol/B3: 5.03539
  Sterimol/B4: 9.91583  Sterimol/L: 13.601 
 
 Surface and Volume Properties
  Accessible surface: 615.006  Positive charged surface: 312.469  Negative charged surface: 302.537  Volume: 342.375
  Hydrophobic surface: 566.775  Hydrophilic surface: 48.231
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.