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CHEMSTAR-ZINC00048498

 MMsINC code: MMs01072520
Type: Neutral
Formula: C19H21ClN2O2
SMILES:   Clc1cc(ccc1)COc1ccc(cc1)\C=N\NC(=O)CC(C)C
InChI:   InChI=1/C19H21ClN2O2/c1-14(2)10-19(23)22-21-12-15-6-8-18(9-7-15)24-13-16-4-3-5-17(20)11-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,23)/b21-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.842 g/mol  logS: -5.56239  SlogP: 4.6816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264062  Sterimol/B1: 2.41217  Sterimol/B2: 2.80196  Sterimol/B3: 5.49255
  Sterimol/B4: 6.92757  Sterimol/L: 21.6123 
 
 Surface and Volume Properties
  Accessible surface: 658.482  Positive charged surface: 380.529  Negative charged surface: 277.953  Volume: 338.625
  Hydrophobic surface: 535.303  Hydrophilic surface: 123.179
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.