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CHEMDIV-ZINC06725056

 MMsINC code: MMs01002144
Type: Neutral
Formula: C24H27FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)NCC1OCCC1
InChI:   InChI=1/C24H27FN2O4/c1-30-14-12-27-22(16-8-10-17(25)11-9-16)21(19-6-2-3-7-20(19)24(27)29)23(28)26-15-18-5-4-13-31-18/h2-3,6-11,18,21-22H,4-5,12-15H2,1H3,(H,26,28)/t18-,21+,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.488 g/mol  logS: -4.55656  SlogP: 3.1435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196722  Sterimol/B1: 2.55295  Sterimol/B2: 3.88775  Sterimol/B3: 6.15583
  Sterimol/B4: 9.89302  Sterimol/L: 17.0128 
 
 Surface and Volume Properties
  Accessible surface: 678.617  Positive charged surface: 485.807  Negative charged surface: 192.81  Volume: 402.625
  Hydrophobic surface: 633.05  Hydrophilic surface: 45.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.