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ENAMINE-ZINC06077153

 MMsINC code: MMs01652625
Type: Neutral
Formula: C26H30FNO2
SMILES:   Fc1ccc(cc1)COc1ccccc1C(=O)NC(C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C26H30FNO2/c1-17(26-13-19-10-20(14-26)12-21(11-19)15-26)28-25(29)23-4-2-3-5-24(23)30-16-18-6-8-22(27)9-7-18/h2-9,17,19-21H,10-16H2,1H3,(H,28,29)/t17-,19-,20+,21-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.529 g/mol  logS: -7.6892  SlogP: 6.0058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866555  Sterimol/B1: 2.11627  Sterimol/B2: 4.57905  Sterimol/B3: 6.32145
  Sterimol/B4: 7.92615  Sterimol/L: 16.9332 
 
 Surface and Volume Properties
  Accessible surface: 683.214  Positive charged surface: 441.465  Negative charged surface: 241.749  Volume: 401.625
  Hydrophobic surface: 637.908  Hydrophilic surface: 45.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.