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MAYBRIDGE-ZINC04336807

 MMsINC code: MMs02168928
Type: Neutral
Formula: C19H20Cl2N2O
SMILES:   Clc1cc(Cl)ccc1CN1CCC(NC(=O)c2ccccc2)CC1
InChI:   InChI=1/C19H20Cl2N2O/c20-16-7-6-15(18(21)12-16)13-23-10-8-17(9-11-23)22-19(24)14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.288 g/mol  logS: -5.21776  SlogP: 4.6542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914757  Sterimol/B1: 3.74322  Sterimol/B2: 4.38286  Sterimol/B3: 4.46297
  Sterimol/B4: 5.45112  Sterimol/L: 18.3312 
 
 Surface and Volume Properties
  Accessible surface: 606.588  Positive charged surface: 324.299  Negative charged surface: 282.289  Volume: 335.5
  Hydrophobic surface: 563.888  Hydrophilic surface: 42.7
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02168929
MAYBRIDGE-ZINC04336807