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CHEMBRIDGE-ZINC01178900

 MMsINC code: MMs00681383
Type: Neutral
Formula: C20H25ClN2O3
SMILES:   Clc1ccc(NC(=O)CCN(CCc2cc(OC)c(OC)cc2)C)cc1
InChI:   InChI=1/C20H25ClN2O3/c1-23(12-10-15-4-9-18(25-2)19(14-15)26-3)13-11-20(24)22-17-7-5-16(21)6-8-17/h4-9,14H,10-13H2,1-3H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.884 g/mol  logS: -4.0312  SlogP: 3.86027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588766  Sterimol/B1: 1.969  Sterimol/B2: 3.32797  Sterimol/B3: 5.17299
  Sterimol/B4: 8.02013  Sterimol/L: 21.8906 
 
 Surface and Volume Properties
  Accessible surface: 692.19  Positive charged surface: 477.621  Negative charged surface: 214.569  Volume: 367.625
  Hydrophobic surface: 629.114  Hydrophilic surface: 63.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00681384
CHEMBRIDGE-ZINC01178900