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CHEMBRIDGE-ZINC04185509

 MMsINC code: MMs00765256
Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCc1ccc(cc1)C(=O)N1CCN(CC1)C
InChI:   InChI=1/C19H20Cl2N2O2/c1-22-8-10-23(11-9-22)19(24)15-4-2-14(3-5-15)13-25-18-7-6-16(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -4.75861  SlogP: 4.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03709  Sterimol/B1: 2.46096  Sterimol/B2: 3.45371  Sterimol/B3: 3.71112
  Sterimol/B4: 6.25852  Sterimol/L: 20.6622 
 
 Surface and Volume Properties
  Accessible surface: 637.982  Positive charged surface: 371.322  Negative charged surface: 266.66  Volume: 346.125
  Hydrophobic surface: 598.036  Hydrophilic surface: 39.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00765257
CHEMBRIDGE-ZINC04185509