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ENAMINE-ZINC06939361

 MMsINC code: MMs01714507
Type: Neutral
Formula: C24H26FNO2
SMILES:   Fc1ccc(cc1)CNCC(O)COC(c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C24H26FNO2/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19/h2-14,23-24,26-27H,15-17H2,1H3/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.3648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.475 g/mol  logS: -5.37018  SlogP: 4.75272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680692  Sterimol/B1: 2.2436  Sterimol/B2: 3.43902  Sterimol/B3: 4.40705
  Sterimol/B4: 10.0416  Sterimol/L: 19.8522 
 
 Surface and Volume Properties
  Accessible surface: 720.861  Positive charged surface: 431.211  Negative charged surface: 289.65  Volume: 386.5
  Hydrophobic surface: 660.64  Hydrophilic surface: 60.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01714508
ENAMINE-ZINC06939361