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CHEMBRIDGE-ZINC04989467

 MMsINC code: MMs00821697
Type: Neutral
Formula: C19H24FNO
SMILES:   Fc1ccccc1CCNC(CCc1ccc(OC)cc1)C
InChI:   InChI=1/C19H24FNO/c1-15(7-8-16-9-11-18(22-2)12-10-16)21-14-13-17-5-3-4-6-19(17)20/h3-6,9-12,15,21H,7-8,13-14H2,1-2H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.7387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.405 g/mol  logS: -3.89056  SlogP: 3.98764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618865  Sterimol/B1: 2.22006  Sterimol/B2: 3.22618  Sterimol/B3: 4.22366
  Sterimol/B4: 7.10552  Sterimol/L: 19.6808 
 
 Surface and Volume Properties
  Accessible surface: 605.566  Positive charged surface: 398.809  Negative charged surface: 206.757  Volume: 317
  Hydrophobic surface: 561.395  Hydrophilic surface: 44.171
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00821698
CHEMBRIDGE-ZINC04989467