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CHEMDIV-ZINC06842725

 MMsINC code: MMs01046644
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1cc(NC(=O)N2CC(Oc3c2cc(cc3)C)C)c(OC)cc1
InChI:   InChI=1/C18H19ClN2O3/c1-11-4-6-17-15(8-11)21(10-12(2)24-17)18(22)20-14-9-13(19)5-7-16(14)23-3/h4-9,12H,10H2,1-3H3,(H,20,22)/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.93108  SlogP: 4.47642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197882  Sterimol/B1: 2.7717  Sterimol/B2: 3.14907  Sterimol/B3: 3.27253
  Sterimol/B4: 9.59102  Sterimol/L: 14.6646 
 
 Surface and Volume Properties
  Accessible surface: 587.574  Positive charged surface: 363.913  Negative charged surface: 223.661  Volume: 317
  Hydrophobic surface: 528.715  Hydrophilic surface: 58.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.