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PUBCHEM-ZINC06579212

 MMsINC code: MMs03806455
Type: Neutral
Formula: C24H30FNO
SMILES:   Fc1ccc(cc1)CC1CC(N2CCC(CC2)c2ccccc2)C(O)CC1
InChI:   InChI=1/C24H30FNO/c25-22-9-6-18(7-10-22)16-19-8-11-24(27)23(17-19)26-14-12-21(13-15-26)20-4-2-1-3-5-20/h1-7,9-10,19,21,23-24,27H,8,11-17H2/t19-,23+,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.508 g/mol  logS: -4.81048  SlogP: 4.77737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545962  Sterimol/B1: 3.25793  Sterimol/B2: 3.42345  Sterimol/B3: 4.17297
  Sterimol/B4: 6.06918  Sterimol/L: 20.7219 
 
 Surface and Volume Properties
  Accessible surface: 657.555  Positive charged surface: 428.208  Negative charged surface: 229.347  Volume: 378.875
  Hydrophobic surface: 612.01  Hydrophilic surface: 45.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03806456
PUBCHEM-ZINC06579212