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CHEMBRIDGE-ZINC00319032

 MMsINC code: MMs00608341
Type: Neutral
Formula: C18H20ClNO3
SMILES:   Clc1cc(OC)c(NC(=O)COc2cc(C)c(cc2)C)cc1C
InChI:   InChI=1/C18H20ClNO3/c1-11-5-6-14(7-12(11)2)23-10-18(21)20-16-8-13(3)15(19)9-17(16)22-4/h5-9H,10H2,1-4H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.815 g/mol  logS: -5.32467  SlogP: 4.29136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187484  Sterimol/B1: 2.65297  Sterimol/B2: 3.24796  Sterimol/B3: 4.77728
  Sterimol/B4: 6.14355  Sterimol/L: 18.394 
 
 Surface and Volume Properties
  Accessible surface: 619.714  Positive charged surface: 377.496  Negative charged surface: 242.218  Volume: 318.875
  Hydrophobic surface: 560.348  Hydrophilic surface: 59.366
 
 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.