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CHEMBRIDGE-ZINC00434535

 MMsINC code: MMs00613994
Type: Neutral
Formula: C20H27NO3
SMILES:   OC(=O)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C20H27NO3/c22-19(15-11-13-16(14-12-15)20(23)24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=325.409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.44 g/mol  logS: -4.3367  SlogP: 4.4924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133034  Sterimol/B1: 2.92302  Sterimol/B2: 3.04422  Sterimol/B3: 4.54151
  Sterimol/B4: 7.79105  Sterimol/L: 15.4616 
 
 Surface and Volume Properties
  Accessible surface: 553.536  Positive charged surface: 382.964  Negative charged surface: 170.572  Volume: 323.875
  Hydrophobic surface: 440.016  Hydrophilic surface: 113.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00613995
CHEMBRIDGE-ZINC00434535