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PUBCHEM-ZINC06522749

 MMsINC code: MMs03781024
Type: Neutral
Formula: C18H24FNO2
SMILES:   FCCOC(=O)C1C2N(C(CC1c1ccc(cc1)C)CC2)C
InChI:   InChI=1/C18H24FNO2/c1-12-3-5-13(6-4-12)15-11-14-7-8-16(20(14)2)17(15)18(21)22-10-9-19/h3-6,14-17H,7-11H2,1-2H3/t14-,15-,16+,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=389.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.393 g/mol  logS: -3.05761  SlogP: 3.07402  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.247958  Sterimol/B1: 2.20233  Sterimol/B2: 2.96965  Sterimol/B3: 4.769
  Sterimol/B4: 8.90734  Sterimol/L: 13.2555 
 
 Surface and Volume Properties
  Accessible surface: 514.709  Positive charged surface: 383.907  Negative charged surface: 130.802  Volume: 293.5
  Hydrophobic surface: 450.131  Hydrophilic surface: 64.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03781025
PUBCHEM-ZINC06522749